 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Boat_STD_LCPBE_augccpVDZ.in
 Output=27_methylindane_Boat_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/27_methylindane_Boat_STD/Gau-21531.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/27_methylindane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21532.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Boat_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025000
 0000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=250000000,108=250000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "27_methylindane_Boat_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.164986000000     -1.224920000000     -0.005005000000
  C                                                -2.642020000000      0.073409000000      0.146690000000
  C                                                -1.762079000000      1.153232000000      0.130794000000
  C                                                -0.405452000000      0.917524000000     -0.034454000000
  C                                                 0.074285000000     -0.384887000000     -0.186400000000
  C                                                -0.802207000000     -1.459935000000     -0.173869000000
  C                                                 1.577720000000     -0.384146000000     -0.367381000000
  C                                                 1.970002000000      1.020984000000      0.144037000000
  C                                                 0.731931000000      1.906712000000     -0.098518000000
  H                                                -2.856720000000     -2.057467000000      0.013689000000
  H                                                -3.702276000000      0.244250000000      0.283207000000
  H                                                -2.135971000000      2.162786000000      0.253773000000
  H                                                -0.437393000000     -2.473544000000     -0.286670000000
  H                                                 1.789870000000     -0.436688000000     -1.443748000000
  C                                                 2.317593000000     -1.524644000000      0.320775000000
  H                                                 2.873170000000      1.403772000000     -0.331853000000
  H                                                 2.163642000000      0.958387000000      1.218672000000
  H                                                 0.772481000000      2.369953000000     -1.090624000000
  H                                                 0.637692000000      2.716269000000      0.626868000000
  H                                                 2.108272000000     -1.526468000000      1.392826000000
  H                                                 3.396620000000     -1.425796000000      0.184958000000
  H                                                 2.021897000000     -2.495429000000     -0.081110000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391485   0.000000
     3  C    2.415861   1.393042   0.000000
     4  C    2.772525   2.397411   1.386832   0.000000
     5  C    2.398519   2.774761   2.416331   1.396248   0.000000
     6  C    1.393167   2.416364   2.800503   2.414366   1.387128
     7  C    3.853059   4.275492   3.710252   2.395445   1.514289
     8  C    4.707911   4.708360   3.734447   2.384396   2.383150
     9  C    4.267082   3.847684   2.615416   1.508720   2.385717
    10  H    1.082580   2.145791   3.394192   3.855075   3.380584
    11  H    2.145877   1.082574   2.147986   3.379831   3.857299
    12  H    3.397699   2.152452   1.083567   2.151383   3.401415
    13  H    2.150110   3.396344   3.883629   3.400585   2.152756
    14  H    4.281609   4.736174   4.198020   2.939292   2.127637
    15  C    4.504385   5.213621   4.883732   3.674962   2.566847
    16  H    5.692088   5.693522   4.665013   3.327799   3.324788
    17  H    5.000124   5.002671   4.078324   2.858713   2.853774
    18  H    4.767640   4.296961   3.065333   2.147690   2.982322
    19  H    4.877216   4.239315   2.906557   2.181967   3.255150
    20  H    4.506173   5.165049   4.873719   3.785371   2.816783
    21  H    5.568474   6.222078   5.767711   4.471582   3.501329
    22  H    4.376068   5.329441   5.260808   4.188371   2.873789
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.618935   0.000000
     8  C    3.733787   1.545906   0.000000
     9  C    3.700482   2.456761   1.541482   0.000000
    10  H    2.147847   4.754942   5.726351   5.348432   0.000000
    11  H    3.394638   5.356912   5.726903   4.750967   2.466882
    12  H    3.884059   4.545789   4.263188   2.900783   4.288083
    13  H    1.083151   2.903925   4.265300   4.537550   2.473152
    14  H    3.062432   1.098332   2.162942   2.901793   5.132431
    15  C    3.159432   1.523715   2.575321   3.803201   5.210731
    16  H    4.661992   2.208190   1.090280   2.211854   6.703075
    17  H    4.072310   2.158996   1.093735   2.164280   5.979247
    18  H    4.241241   2.959147   2.185901   1.095678   5.830322
    19  H    4.489451   3.388917   2.209563   1.091077   5.947727
    20  H    3.306032   2.164420   2.840441   3.988126   5.180263
    21  H    4.214270   2.167605   2.832604   4.276276   6.287496
    22  H    3.009388   2.176410   3.523996   4.587282   4.899153
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.476885   0.000000
    13  H    4.286097   4.967172   0.000000
    14  H    5.797389   5.005104   3.232385   0.000000
    15  C    6.274490   5.782375   2.976466   2.139084   0.000000
    16  H    6.705168   5.100054   5.098573   2.407726   3.051264
    17  H    5.982815   4.568181   4.561753   3.028931   2.644875
    18  H    5.140961   3.210828   5.056639   3.006162   4.421233
    19  H    5.006426   2.852849   5.378152   3.944123   4.571772
    20  H    6.174882   5.737738   3.193442   3.055348   1.092297
    21  H    7.293355   6.594863   4.002482   2.492522   1.092024
    22  H    6.356471   6.252918   2.467963   2.479724   1.091500
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.762364   0.000000
    18  H    2.433543   3.043139   0.000000
    19  H    2.763902   2.401854   1.757237   0.000000
    20  H    3.485096   2.491566   4.809777   4.555229   0.000000
    21  H    2.923619   2.876305   4.787580   4.996366   1.768875
    22  H    3.998913   3.693016   5.123680   5.438663   1.766022
                   21         22
    21  H    0.000000
    22  H    1.762036   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.53D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.164986   -1.224920   -0.005005
      2          6           0       -2.642020    0.073409    0.146690
      3          6           0       -1.762079    1.153232    0.130794
      4          6           0       -0.405452    0.917524   -0.034454
      5          6           0        0.074285   -0.384887   -0.186400
      6          6           0       -0.802207   -1.459935   -0.173869
      7          6           0        1.577720   -0.384146   -0.367381
      8          6           0        1.970002    1.020984    0.144037
      9          6           0        0.731931    1.906712   -0.098518
     10          1           0       -2.856720   -2.057467    0.013689
     11          1           0       -3.702276    0.244250    0.283207
     12          1           0       -2.135971    2.162786    0.253773
     13          1           0       -0.437393   -2.473544   -0.286670
     14          1           0        1.789870   -0.436688   -1.443748
     15          6           0        2.317593   -1.524644    0.320775
     16          1           0        2.873170    1.403772   -0.331853
     17          1           0        2.163642    0.958387    1.218672
     18          1           0        0.772481    2.369953   -1.090624
     19          1           0        0.637692    2.716269    0.626868
     20          1           0        2.108272   -1.526468    1.392826
     21          1           0        3.396620   -1.425796    0.184958
     22          1           0        2.021897   -2.495429   -0.081110
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.3914598           1.2314279           0.8455004
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       504.1844683919 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              16.1 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.42D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               5.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Boat_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               6.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636881894 LenY=  5636753289
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -387.065210388340    
 DIIS: error= 2.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -387.065210388340     IErMin= 1 ErrMin= 2.40D-03
 ErrMax= 2.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.32D-03 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.365 Goal=   None    Shift=    0.000
 GapD=    0.365 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.55D-02 MaxDP=4.00D+00              OVMax= 1.35D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.16D-02    CP:  1.64D+00
 E= -387.073940975872     Delta-E=       -0.008730587533 Rises=F Damp=F
 DIIS: error= 5.75D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -387.073940975872     IErMin= 2 ErrMin= 5.75D-04
 ErrMax= 5.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-04 BMatP= 9.32D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.75D-03
 Coeff-Com: -0.172D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.171D-01 0.102D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=9.75D-03 MaxDP=7.24D-01 DE=-8.73D-03 OVMax= 3.49D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.75D+00  1.17D+00
 E= -387.074148208210     Delta-E=       -0.000207232337 Rises=F Damp=F
 DIIS: error= 4.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -387.074148208210     IErMin= 3 ErrMin= 4.11D-04
 ErrMax= 4.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.22D-05 BMatP= 2.05D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.11D-03
 Coeff-Com: -0.207D-01 0.380D+00 0.641D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.206D-01 0.378D+00 0.642D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.94D-04 MaxDP=6.12D-02 DE=-2.07D-04 OVMax= 2.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.95D-04    CP:  1.77D+00  1.19D+00  1.06D+00
 E= -387.074231231870     Delta-E=       -0.000083023661 Rises=F Damp=F
 DIIS: error= 7.42D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -387.074231231870     IErMin= 4 ErrMin= 7.42D-05
 ErrMax= 7.42D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-06 BMatP= 8.22D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.462D-02-0.123D-04 0.186D+00 0.819D+00
 Coeff:     -0.462D-02-0.123D-04 0.186D+00 0.819D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.84D-04 MaxDP=3.05D-02 DE=-8.30D-05 OVMax= 1.01D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-04    CP:  1.77D+00  1.19D+00  1.11D+00  8.43D-01
 E= -387.074237092931     Delta-E=       -0.000005861061 Rises=F Damp=F
 DIIS: error= 3.80D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -387.074237092931     IErMin= 5 ErrMin= 3.80D-05
 ErrMax= 3.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-06 BMatP= 6.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.900D-04-0.386D-01 0.301D-01 0.408D+00 0.600D+00
 Coeff:     -0.900D-04-0.386D-01 0.301D-01 0.408D+00 0.600D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.17D-05 MaxDP=3.56D-03 DE=-5.86D-06 OVMax= 3.84D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.12D-05    CP:  1.77D+00  1.19D+00  1.12D+00  9.09D-01  7.79D-01
 E= -387.074238578937     Delta-E=       -0.000001486006 Rises=F Damp=F
 DIIS: error= 8.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -387.074238578937     IErMin= 6 ErrMin= 8.48D-06
 ErrMax= 8.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-08 BMatP= 1.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-03-0.102D-01-0.766D-02 0.395D-01 0.165D+00 0.813D+00
 Coeff:      0.442D-03-0.102D-01-0.766D-02 0.395D-01 0.165D+00 0.813D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.46D-05 MaxDP=8.84D-04 DE=-1.49D-06 OVMax= 1.20D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.59D-06    CP:  1.77D+00  1.19D+00  1.12D+00  9.20D-01  7.92D-01
                    CP:  1.05D+00
 E= -387.074238636093     Delta-E=       -0.000000057156 Rises=F Damp=F
 DIIS: error= 2.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -387.074238636093     IErMin= 7 ErrMin= 2.21D-06
 ErrMax= 2.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.29D-09 BMatP= 4.16D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-03-0.116D-02-0.446D-02-0.128D-01 0.143D-01 0.293D+00
 Coeff-Com:  0.711D+00
 Coeff:      0.161D-03-0.116D-02-0.446D-02-0.128D-01 0.143D-01 0.293D+00
 Coeff:      0.711D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=6.96D-06 MaxDP=4.87D-04 DE=-5.72D-08 OVMax= 2.43D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.27D-06    CP:  1.77D+00  1.19D+00  1.12D+00  9.22D-01  7.91D-01
                    CP:  1.07D+00  1.15D+00
 E= -387.074238642461     Delta-E=       -0.000000006368 Rises=F Damp=F
 DIIS: error= 1.09D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -387.074238642461     IErMin= 8 ErrMin= 1.09D-06
 ErrMax= 1.09D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-10 BMatP= 5.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.206D-04 0.128D-02-0.375D-03-0.117D-01-0.248D-01-0.219D-01
 Coeff-Com:  0.249D+00 0.809D+00
 Coeff:     -0.206D-04 0.128D-02-0.375D-03-0.117D-01-0.248D-01-0.219D-01
 Coeff:      0.249D+00 0.809D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.75D-06 MaxDP=2.55D-04 DE=-6.37D-09 OVMax= 1.73D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.68D-07    CP:  1.77D+00  1.19D+00  1.12D+00  9.22D-01  7.90D-01
                    CP:  1.09D+00  1.22D+00  1.02D+00
 E= -387.074238643436     Delta-E=       -0.000000000975 Rises=F Damp=F
 DIIS: error= 3.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -387.074238643436     IErMin= 9 ErrMin= 3.37D-07
 ErrMax= 3.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.23D-11 BMatP= 6.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.100D-04 0.192D-03 0.132D-03-0.369D-03-0.383D-02-0.143D-01
 Coeff-Com: -0.168D-01 0.748D-01 0.960D+00
 Coeff:     -0.100D-04 0.192D-03 0.132D-03-0.369D-03-0.383D-02-0.143D-01
 Coeff:     -0.168D-01 0.748D-01 0.960D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=3.63D-07 MaxDP=2.15D-05 DE=-9.75D-10 OVMax= 5.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  1.77D+00  1.19D+00  1.12D+00  9.23D-01  7.89D-01
                    CP:  1.09D+00  1.23D+00  1.08D+00  1.17D+00
 E= -387.074238643505     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 8.59D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -387.074238643505     IErMin=10 ErrMin= 8.59D-08
 ErrMax= 8.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.67D-12 BMatP= 2.23D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-05-0.891D-04 0.101D-03 0.147D-02 0.158D-02-0.227D-02
 Coeff-Com: -0.406D-01-0.758D-01 0.403D+00 0.712D+00
 Coeff:     -0.151D-05-0.891D-04 0.101D-03 0.147D-02 0.158D-02-0.227D-02
 Coeff:     -0.406D-01-0.758D-01 0.403D+00 0.712D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=1.65D-07 MaxDP=9.52D-06 DE=-6.90D-11 OVMax= 2.33D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.95D-08    CP:  1.77D+00  1.19D+00  1.12D+00  9.23D-01  7.89D-01
                    CP:  1.09D+00  1.23D+00  1.08D+00  1.21D+00  9.74D-01
 E= -387.074238643513     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 3.92D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -387.074238643513     IErMin=11 ErrMin= 3.92D-08
 ErrMax= 3.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.20D-13 BMatP= 6.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.842D-06-0.434D-04 0.625D-05 0.377D-03 0.735D-03 0.130D-02
 Coeff-Com: -0.707D-02-0.254D-01-0.266D-01 0.137D+00 0.919D+00
 Coeff:      0.842D-06-0.434D-04 0.625D-05 0.377D-03 0.735D-03 0.130D-02
 Coeff:     -0.707D-02-0.254D-01-0.266D-01 0.137D+00 0.919D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.36D-08 MaxDP=6.77D-06 DE=-8.19D-12 OVMax= 1.09D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.40D-08    CP:  1.77D+00  1.19D+00  1.12D+00  9.23D-01  7.89D-01
                    CP:  1.09D+00  1.23D+00  1.08D+00  1.21D+00  1.04D+00
                    CP:  1.02D+00
 E= -387.074238643558     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.82D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -387.074238643558     IErMin=12 ErrMin= 1.82D-08
 ErrMax= 1.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-13 BMatP= 5.20D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.580D-06-0.151D-05-0.147D-04-0.106D-03-0.332D-05 0.884D-03
 Coeff-Com:  0.440D-02 0.336D-02-0.798D-01-0.753D-01 0.349D+00 0.797D+00
 Coeff:      0.580D-06-0.151D-05-0.147D-04-0.106D-03-0.332D-05 0.884D-03
 Coeff:      0.440D-02 0.336D-02-0.798D-01-0.753D-01 0.349D+00 0.797D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=2.54D-08 MaxDP=1.53D-06 DE=-4.48D-11 OVMax= 5.28D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.77D+00  1.19D+00  1.12D+00  9.23D-01  7.89D-01
                    CP:  1.09D+00  1.23D+00  1.08D+00  1.21D+00  1.04D+00
                    CP:  1.08D+00  1.14D+00
 E= -387.074238643557     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 8.10D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -387.074238643558     IErMin=13 ErrMin= 8.10D-09
 ErrMax= 8.10D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.86D-14 BMatP= 1.50D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.231D-07 0.101D-04-0.594D-05-0.121D-03-0.177D-03-0.867D-04
 Coeff-Com:  0.305D-02 0.711D-02-0.150D-01-0.585D-01-0.136D+00 0.274D+00
 Coeff-Com:  0.925D+00
 Coeff:     -0.231D-07 0.101D-04-0.594D-05-0.121D-03-0.177D-03-0.867D-04
 Coeff:      0.305D-02 0.711D-02-0.150D-01-0.585D-01-0.136D+00 0.274D+00
 Coeff:      0.925D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=8.70D-09 MaxDP=3.93D-07 DE= 1.02D-12 OVMax= 2.75D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -387.074238644     A.U. after   13 cycles
            NFock= 13  Conv=0.87D-08     -V/T= 2.0046
 KE= 3.852829503957D+02 PE=-1.906859038451D+03 EE= 6.303173810198D+02
 Leave Link  502 at Fri Jul 16 19:21:16 2021, MaxMem=  5637144576 cpu:            3403.9 elap:             426.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.10399536D+03

 Leave Link  801 at Fri Jul 16 19:21:17 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 3.14D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 2.14D-01 5.72D-02.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 4.61D-02 5.70D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 3.99D-03 1.37D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 5.37D-04 5.06D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 3.55D-05 9.09D-04.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 1.19D-06 2.74D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 3.09D-08 4.20D-05.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 8.79D-10 6.04D-06.
     11 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 2.40D-11 8.82D-07.
      8 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 5.15D-13 1.06D-07.
      3 vectors produced by pass 11 Test12= 1.81D-13 8.33D-09 XBig12= 2.90D-14 1.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149214D+03
      2  0.192558D+01  0.130607D+03
      3 -0.345609D+01  0.143883D+01  0.824364D+02
 Isotropic polarizability for W=    0.085645      120.75 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.753944D+02 -0.162504D+02  0.144034D+02
      2   0.399131D+02  0.239668D+01 -0.145240D+02
      3   0.354813D+02  0.138537D+02  0.120586D+00
      4  -0.289990D+02 -0.316738D+02 -0.109174D+02
      5   0.159481D+02 -0.141467D+02  0.334628D+02
      6  -0.750068D+01 -0.932859D+00 -0.758781D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.498886D+00  0.119264D+01  0.231551D+01
      2   0.107900D+02 -0.598713D+01  0.131795D+02
      3   0.492444D+00  0.329838D+02  0.544252D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.322930D+01  0.135911D+02  0.139296D+02
      2  -0.154468D+01 -0.341672D+01 -0.201848D+01
      3  -0.127487D+02  0.715869D+02  0.664602D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.107963D+01 -0.148985D+01 -0.554369D+00
      2  -0.148985D+01  0.211652D+01 -0.284478D+01
      3  -0.554369D+00 -0.284478D+01 -0.108262D+01
 OR G Eigenvalues:    -3.4316    -0.6037     3.9895  Iso=     0.0152
 Eigenvectors:
   (1)   0.485155   0.498607   0.718342
   (2)   0.850490  -0.078163  -0.520152
   (3)  -0.203204   0.863297  -0.461981
 w=    0.085645 a.u., Optical Rotation Beta=      0.0152 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =        5.47 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 2.49D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.76D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.92D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 3.17D-02 2.78D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 1.18D-03 7.62D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 2.23D-05 1.11D-03.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 5.71D-07 1.28D-04.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 8.91D-09 1.04D-05.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 9.18D-11 9.18D-07.
     30 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 6.67D-13 9.09D-08.
     14 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 1.15D-14 2.21D-08.
      3 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 2.22D-15 5.92D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 6.59D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 6.59D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149214D+03  0.192558D+01 -0.345609D+01
      2   0.192558D+01  0.130607D+03  0.143883D+01
      3  -0.345609D+01  0.143883D+01  0.824364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.498886D+00  0.119264D+01  0.231551D+01
      2   0.107900D+02 -0.598713D+01  0.131795D+02
      3   0.492444D+00  0.329838D+02  0.544252D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.753944D+02 -0.162504D+02  0.144034D+02
      2   0.399131D+02  0.239668D+01 -0.145240D+02
      3   0.354813D+02  0.138537D+02  0.120586D+00
      4  -0.289990D+02 -0.316738D+02 -0.109174D+02
      5   0.159481D+02 -0.141467D+02  0.334628D+02
      6  -0.750068D+01 -0.932859D+00 -0.758781D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364526D+00 -0.121432D+01 -0.737619D+00 -0.535446D+01 -0.828117D-01
      2  -0.121432D+01 -0.253778D+01 -0.668050D+00 -0.828117D-01 -0.232702D+01
      3  -0.737619D+00 -0.668050D+00 -0.144827D+01  0.587742D+00  0.483877D+00
                 6             7             8             9            10 
      1   0.587742D+00 -0.130195D+01 -0.859501D-01 -0.363174D+01 -0.513883D+01
      2   0.483877D+00 -0.859501D-01  0.490184D+00 -0.392451D+01  0.868439D+00
      3  -0.266008D+01 -0.363174D+01 -0.392451D+01 -0.504089D-01 -0.559193D+00
                11            12            13            14            15 
      1   0.868439D+00 -0.559193D+00  0.158358D+01  0.240492D+01  0.344415D+00
      2  -0.261486D+01 -0.221583D-01  0.240492D+01  0.239980D+01 -0.381723D+00
      3  -0.221583D-01 -0.267146D+01  0.344415D+00 -0.381723D+00  0.884821D+00
                16            17            18            19            20 
      1  -0.709950D+00  0.610226D+00 -0.545597D+01  0.101553D+01 -0.313391D+01
      2   0.610226D+00  0.266890D+00  0.744969D+00 -0.313391D+01 -0.363473D+01
      3  -0.545597D+01  0.744969D+00  0.138991D+01 -0.257722D+00  0.530853D+00
                21            22            23            24            25 
      1  -0.257722D+00  0.529593D+01 -0.451511D+00 -0.133992D+00  0.262556D+00
      2   0.530853D+00 -0.451511D+00  0.388325D+00 -0.466418D+00  0.927477D+00
      3  -0.366938D+00 -0.133992D+00 -0.466418D+00  0.226036D+01 -0.238714D+01
                26            27            28            29            30 
      1   0.927477D+00 -0.238714D+01  0.119964D+01  0.316045D+01 -0.316174D+00
      2  -0.488548D+00  0.355237D+01  0.316045D+01  0.729686D+01 -0.150310D+00
      3   0.355237D+01  0.138491D+01 -0.316174D+00 -0.150310D+00  0.168804D+01
                31            32            33            34            35 
      1   0.121176D+02  0.459017D+01 -0.944543D+00  0.163539D+01 -0.356586D+00
      2   0.459017D+01  0.688271D+01 -0.521255D+00 -0.356586D+00 -0.406517D+00
      3  -0.944543D+00 -0.521255D+00  0.140868D+01  0.156867D+01  0.301618D+01
                36            37            38            39            40 
      1   0.156867D+01  0.161875D+02 -0.178791D+01 -0.200912D+01 -0.587960D+01
      2   0.301618D+01 -0.178791D+01  0.374591D+01  0.817365D-01 -0.316218D+01
      3   0.497451D-01 -0.200912D+01  0.817365D-01  0.210732D+01 -0.103844D+00
                41            42            43            44            45 
      1  -0.316218D+01 -0.103844D+00 -0.161979D+01 -0.436575D+00  0.324999D+01
      2  -0.576726D+00  0.515287D+00 -0.436575D+00  0.428739D+00 -0.856244D+00
      3   0.515287D+00  0.259448D+00  0.324999D+01 -0.856244D+00 -0.129343D+01
                46            47            48            49            50 
      1  -0.173384D+01  0.340823D+01  0.346833D+00 -0.575773D+01  0.579543D+00
      2   0.340823D+01  0.226292D+01 -0.391580D+00  0.579543D+00 -0.186066D+01
      3   0.346833D+00 -0.391580D+00  0.991096D+00  0.209811D+00  0.425001D+00
                51            52            53            54            55 
      1   0.209811D+00  0.913691D-01 -0.494860D+00  0.407662D+00 -0.476828D+01
      2   0.425001D+00 -0.494860D+00  0.750002D-01 -0.404143D+01  0.238230D+01
      3  -0.206221D+01  0.407662D+00 -0.404143D+01 -0.115395D+01  0.129807D+01
                56            57            58            59            60 
      1   0.238230D+01  0.129807D+01  0.283740D+01 -0.303713D+01  0.230820D+00
      2  -0.209252D+01  0.198947D+00 -0.303713D+01 -0.206063D+01 -0.131230D+01
      3   0.198947D+00 -0.206260D+01  0.230820D+00 -0.131230D+01  0.690929D+00
                61            62            63            64            65 
      1   0.379928D+01  0.959333D-01 -0.318275D+01 -0.446689D+01 -0.355348D+01
      2   0.959333D-01 -0.183166D+01  0.272963D+00 -0.355348D+01  0.937697D+00
      3  -0.318275D+01  0.272963D+00  0.878780D+01  0.200802D+01  0.687804D+00
                66            67            68            69            70 
      1   0.200802D+01 -0.352922D+01  0.502223D+00  0.865392D+00  0.332359D+01
      2   0.687804D+00  0.502223D+00  0.239371D+01  0.120020D+01  0.160756D+01
      3  -0.156322D+01  0.865392D+00  0.120020D+01  0.377243D+00 -0.256460D+01
                71            72            73            74            75 
      1   0.160756D+01 -0.256460D+01 -0.226783D+01  0.397092D+00 -0.467445D-01
      2   0.138159D+01  0.930871D-01  0.397092D+00 -0.243633D+01  0.888076D+00
      3   0.930871D-01 -0.626121D+01 -0.467445D-01  0.888076D+00 -0.121751D+00
                76            77            78            79            80 
      1  -0.427969D+00 -0.406322D+01  0.924942D+00  0.724871D+00  0.185801D+01
      2  -0.406322D+01 -0.839967D+01 -0.415013D+00  0.185801D+01  0.163378D+00
      3   0.924942D+00 -0.415013D+00 -0.363656D+01 -0.142598D+01 -0.596221D+01
                81            82            83            84            85 
      1  -0.142598D+01 -0.572946D+01 -0.423327D+01  0.188942D+00 -0.417989D+01
      2  -0.596221D+01 -0.423327D+01 -0.375100D+01  0.180239D+00 -0.474868D+01
      3   0.344391D+01  0.188942D+00  0.180239D+00 -0.633228D+00 -0.506935D-01
                86            87            88            89            90 
      1  -0.474868D+01 -0.506935D-01  0.358384D+00  0.171109D+00  0.492279D-01
      2  -0.669845D+01  0.317504D-03  0.171109D+00 -0.183928D-01  0.449082D-01
      3   0.317504D-03 -0.749517D+00  0.492279D-01  0.449082D-01 -0.307571D-03
                91            92            93            94            95 
      1  -0.134049D+02  0.135009D+01  0.140035D+01  0.151503D+01 -0.177222D+01
      2   0.135009D+01 -0.958263D+00 -0.143547D+00 -0.177222D+01  0.545195D+00
      3   0.140035D+01 -0.143547D+00 -0.113031D+01 -0.290601D+00  0.201830D+00
                96            97            98            99           100 
      1  -0.290601D+00  0.171854D+01 -0.310507D+00 -0.988611D-01 -0.223965D+01
      2   0.201830D+00 -0.310507D+00  0.192827D+00  0.414755D-01  0.242987D+01
      3   0.199384D+00 -0.988611D-01  0.414755D-01  0.133062D+00  0.349087D+00
               101           102           103           104           105 
      1   0.242987D+01  0.349087D+00  0.250372D+01 -0.375974D+01 -0.388178D+00
      2  -0.273297D+01 -0.387415D+00 -0.375974D+01  0.924503D+01  0.949952D+00
      3  -0.387415D+00 -0.470240D+00 -0.388178D+00  0.949952D+00  0.103270D+01
               106           107           108           109           110 
      1   0.369367D+00 -0.533117D+00 -0.139566D+00  0.134361D+01 -0.163708D+01
      2  -0.533117D+00  0.113917D+01  0.226854D+00 -0.163708D+01  0.200142D+01
      3  -0.139566D+00  0.226854D+00  0.104341D+00 -0.131813D+00  0.311618D+00
               111           112           113           114           115 
      1  -0.131813D+00 -0.144956D+01  0.171714D+01  0.127717D+00 -0.220930D+00
      2   0.311618D+00  0.171714D+01 -0.942854D+01 -0.955367D+00  0.250199D+00
      3   0.206789D+00  0.127717D+00 -0.955367D+00 -0.984769D+00 -0.417963D-01
               116           117           118           119           120 
      1   0.250199D+00 -0.417963D-01  0.276061D+01 -0.616438D+00 -0.194009D+01
      2  -0.931845D+00 -0.135636D+00 -0.616438D+00  0.746441D+00  0.904170D-01
      3  -0.135636D+00 -0.178988D+00 -0.194009D+01  0.904170D-01  0.184950D+01
               121           122           123           124           125 
      1  -0.103997D+01  0.155850D+01  0.928977D-01 -0.572351D+01  0.568133D+00
      2   0.155850D+01 -0.399084D+00 -0.945597D+00  0.568133D+00 -0.137456D+01
      3   0.928977D-01 -0.945597D+00 -0.332447D+00  0.383306D+01 -0.681763D+00
               126           127           128           129           130 
      1   0.383306D+01 -0.766012D+01 -0.673055D+00  0.132331D+01 -0.363826D+01
      2  -0.681763D+00 -0.673055D+00  0.279587D+01 -0.269741D+00  0.291102D+01
      3  -0.925801D+01  0.132331D+01 -0.269741D+00  0.156858D+01 -0.358365D+00
               131           132           133           134           135 
      1   0.291102D+01 -0.358365D+00  0.185538D+01 -0.971610D+00  0.889119D+00
      2   0.305502D+01  0.257452D+01 -0.971610D+00  0.291001D+01  0.895023D+00
      3   0.257452D+01  0.207688D+00  0.889119D+00  0.895023D+00 -0.650001D+01
               136           137           138           139           140 
      1   0.919804D+01  0.324332D+01 -0.171559D+01  0.287293D+01  0.212244D+01
      2   0.324332D+01  0.208285D+01 -0.617568D+00  0.212244D+01  0.169702D+01
      3  -0.171559D+01 -0.617568D+00  0.141531D+01 -0.587017D+00 -0.735211D+00
               141           142           143           144           145 
      1  -0.587017D+00 -0.397579D+01 -0.136610D+01  0.207983D+01  0.157975D+01
      2  -0.735211D+00 -0.136610D+01 -0.136358D+01  0.824078D+00  0.543242D+00
      3   0.517569D+00  0.207983D+01  0.824078D+00 -0.739531D+00  0.126549D+01
               146           147           148           149           150 
      1   0.543242D+00  0.126549D+01  0.928800D-01  0.491764D+00 -0.210821D+00
      2   0.340068D-01  0.147635D+00  0.491764D+00 -0.165953D+00  0.659881D+00
      3   0.147635D+00  0.897787D+00 -0.210821D+00  0.659881D+00 -0.446189D+00
               151           152           153           154           155 
      1   0.240105D+01  0.591261D-01  0.297227D+01  0.108310D+01  0.809496D+00
      2   0.591261D-01  0.159442D+01  0.658751D+00  0.809496D+00  0.244549D+00
      3   0.297227D+01  0.658751D+00  0.728250D+01 -0.951643D+00 -0.339264D+00
               156           157           158           159           160 
      1  -0.951643D+00  0.100042D+01  0.176021D+01 -0.612544D+00 -0.297820D+01
      2  -0.339264D+00  0.176021D+01  0.554549D+01 -0.256498D+01 -0.209582D+01
      3   0.371980D+00 -0.612544D+00 -0.256498D+01  0.231563D+01  0.145620D+01
               161           162           163           164           165 
      1  -0.209582D+01  0.145620D+01 -0.286841D+00  0.638451D+00  0.673997D+00
      2  -0.541362D+01  0.488882D+01  0.638451D+00 -0.877269D+00 -0.204654D+00
      3   0.488882D+01 -0.621927D+01  0.673997D+00 -0.204654D+00 -0.166030D+00
               166           167           168           169           170 
      1   0.151644D+01  0.133851D+01  0.190004D+00  0.108158D+01  0.315757D+00
      2   0.133851D+01  0.885519D+01  0.257755D+01  0.315757D+00  0.477664D+01
      3   0.190004D+00  0.257755D+01  0.208702D+01  0.559088D+00  0.343118D+01
               171           172           173           174           175 
      1   0.559088D+00  0.122991D+00  0.916487D-01  0.530294D+00  0.684922D+00
      2   0.343118D+01  0.916487D-01 -0.747553D+00  0.255407D+00 -0.240428D+00
      3   0.198157D+01  0.530294D+00  0.255407D+00 -0.120480D+01  0.125708D+00
               176           177           178           179           180 
      1  -0.240428D+00  0.125708D+00  0.172766D+01 -0.619408D+00  0.756612D+00
      2  -0.547512D+00  0.558075D+00 -0.619408D+00  0.171450D+01 -0.141985D+01
      3   0.558075D+00  0.214480D-02  0.756612D+00 -0.141985D+01  0.752366D+01
               181           182           183           184           185 
      1   0.126575D+02 -0.198980D+01 -0.264918D+00  0.775448D+00  0.776363D+00
      2  -0.198980D+01  0.159261D+01 -0.907078D-01  0.776363D+00 -0.429821D+00
      3  -0.264918D+00 -0.907078D-01  0.120567D+01  0.835378D-01 -0.332801D+00
               186           187           188           189           190 
      1   0.835378D-01 -0.160301D+01  0.335772D+00  0.114213D+01  0.183835D+00
      2  -0.332801D+00  0.335772D+00 -0.746839D+00 -0.282328D+00 -0.483368D+00
      3   0.138941D+00  0.114213D+01 -0.282328D+00  0.125603D+00 -0.453758D+00
               191           192           193           194           195 
      1  -0.483368D+00 -0.453758D+00 -0.153968D+01  0.565112D+00 -0.102389D+00
      2  -0.135787D+01 -0.877365D-01  0.565112D+00 -0.811342D+01 -0.151582D+01
      3  -0.877365D-01 -0.463223D+00 -0.102389D+00 -0.151582D+01 -0.151077D+01
               196           197           198 
      1  -0.121590D+01  0.471232D+00 -0.354550D-01
      2   0.471232D+00 -0.255778D+01 -0.138669D+01
      3  -0.354550D-01 -0.138669D+01 -0.551890D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139744D+01 -0.166499D+00 -0.421455D+01  0.117952D+01  0.339698D-01
      2   0.755520D+00  0.104875D+01  0.289224D+01 -0.437283D+00 -0.617703D+00
      3  -0.699020D+01 -0.113890D+02 -0.222434D+00  0.824905D+01 -0.344700D+01
                 6             7             8             9            10 
      1  -0.155523D+01 -0.837514D+01  0.328608D+01  0.127144D+01  0.576751D+00
      2   0.688418D+01 -0.233270D+01  0.120417D+02  0.141822D+01  0.184199D+00
      3   0.126287D+00  0.130569D+01  0.204346D+01 -0.569297D+01  0.418051D+01
                11            12            13            14            15 
      1   0.531071D+00  0.737668D+00  0.120262D+01 -0.122893D+01  0.262030D+01
      2  -0.275149D+00  0.836771D+01 -0.218415D+01 -0.281869D+00 -0.147132D+01
      3  -0.877982D+01 -0.121803D+00  0.117514D+02  0.445218D+01 -0.166635D+01
                16            17            18            19            20 
      1   0.234062D+01  0.121752D+02  0.103365D+01  0.108744D+01 -0.799026D+00
      2   0.892010D+01 -0.342761D+01 -0.307215D+01  0.669279D+00 -0.493725D-01
      3   0.105675D+01 -0.342119D+00  0.244596D+01 -0.281213D+01 -0.158103D+02
                21            22            23            24            25 
      1  -0.391429D+00 -0.112985D+01  0.446515D+00 -0.265436D+01  0.404768D+01
      2  -0.935528D+00  0.113789D+01  0.163637D+01 -0.625618D+01 -0.921865D+01
      3  -0.736544D+00 -0.531554D+00  0.761163D+00 -0.349882D+00  0.630335D+00
                26            27            28            29            30 
      1   0.241921D+01 -0.126703D+00 -0.180898D+01  0.178933D+01 -0.954373D+00
      2  -0.103297D+02 -0.935071D+00 -0.343674D+01 -0.147076D+01 -0.103657D+01
      3   0.110468D+01  0.565534D+01 -0.378769D+01  0.635365D+01  0.172085D+01
                31            32            33            34            35 
      1   0.187348D+01  0.571932D+00 -0.966862D+00 -0.258088D+01  0.650174D+01
      2   0.201312D+01 -0.203675D+01 -0.145960D+01 -0.152974D+02 -0.121506D+01
      3   0.100992D+02  0.233173D+02 -0.128693D+01  0.320074D+01 -0.173226D+01
                36            37            38            39            40 
      1   0.370372D+00  0.610828D+00  0.188063D+01  0.141423D+01  0.241228D+01
      2   0.149660D+01 -0.146890D+01 -0.129123D+01 -0.743591D+00 -0.113315D+01
      3   0.346983D+01 -0.940772D+01  0.123899D+02  0.156962D+01  0.108669D+02
                41            42            43            44            45 
      1  -0.110946D+00 -0.554496D+00  0.368828D+01  0.104571D+02 -0.319603D+00
      2   0.265416D+00  0.666523D+00 -0.131139D+02  0.404094D+00  0.149592D+01
      3  -0.703570D+01 -0.152733D+01 -0.470477D+00 -0.594434D+01 -0.252733D+01
                46            47            48            49            50 
      1   0.651814D+00 -0.642162D+00  0.394750D+01 -0.476768D+00 -0.995977D+00
      2  -0.291484D+01  0.207980D+01 -0.232951D+01 -0.329099D-01  0.794775D+00
      3   0.103459D+02 -0.381683D+01 -0.248453D+01  0.691377D+01 -0.715140D+01
                51            52            53            54            55 
      1  -0.315849D+01  0.444964D+01  0.777121D+00 -0.161368D+01 -0.123551D+01
      2   0.196389D+01 -0.145012D+02  0.185283D+01  0.192647D+01 -0.231082D+00
      3   0.454828D-01 -0.441174D+01  0.116604D+01 -0.539030D+01 -0.157823D+01
                56            57            58            59            60 
      1   0.185251D+01 -0.127116D+01  0.265750D+01 -0.107536D+01 -0.133260D+01
      2   0.951502D+00 -0.666301D+00  0.129640D+01 -0.504541D+01  0.884830D+00
      3  -0.395815D+01 -0.116687D+01  0.109180D+02  0.718761D+01  0.383084D+01
                61            62            63            64            65 
      1  -0.306173D+01  0.592882D+01  0.316779D+01 -0.321372D+01 -0.126094D+01
      2  -0.947933D+01  0.497112D+00  0.131284D+02  0.707521D+01  0.344042D+01
      3  -0.384538D+01  0.686482D+01  0.201442D+01  0.773736D+01 -0.116794D+02
                66            67            68            69            70 
      1   0.178851D+01 -0.172065D+01 -0.337500D+01 -0.224787D+01  0.399719D+01
      2  -0.212704D+01  0.412897D+01  0.300850D+01  0.345606D+00 -0.119748D+02
      3   0.143506D+01 -0.730708D+01 -0.477767D+01 -0.285127D+01  0.853603D+00
                71            72            73            74            75 
      1   0.176867D+01  0.571348D+01  0.542062D+00 -0.263688D+01 -0.273934D+00
      2  -0.145621D+01 -0.126853D+02 -0.108195D+01  0.101291D+01  0.183003D+01
      3  -0.398552D+01 -0.314615D+01 -0.673837D+01 -0.248046D+00 -0.121364D+01
                76            77            78            79            80 
      1  -0.579244D+00  0.501963D+01  0.686406D+01  0.551874D+01  0.216281D+02
      2   0.131269D+00  0.528059D+00 -0.208432D+01 -0.519054D+01 -0.528055D+01
      3   0.120493D+02 -0.686494D+01  0.352241D+01 -0.564559D+00  0.784829D+01
                81            82            83            84            85 
      1  -0.635726D+01  0.317717D+00  0.386237D+00 -0.257850D+01 -0.156195D+00
      2   0.256319D+01 -0.687812D+00 -0.729616D+00  0.331483D+01  0.109225D-01
      3   0.145192D+01 -0.130621D+01 -0.510276D+01  0.306950D+00 -0.330480D+01
                86            87            88            89            90 
      1  -0.413355D-01 -0.344707D+01  0.121969D+01  0.170372D+01  0.458842D-01
      2  -0.197568D+00  0.339641D+01 -0.136188D+01 -0.117874D+01 -0.815809D-01
      3  -0.108418D+02  0.136535D+00 -0.367075D+00 -0.724602D+00  0.286745D+00
                91            92            93            94            95 
      1   0.532730D-01 -0.463636D+00  0.670945D+00 -0.192104D+00  0.132549D+00
      2  -0.200539D+01  0.218272D+00  0.676790D+01  0.710172D+00 -0.442259D+00
      3   0.234914D+01 -0.576811D+01 -0.292342D+00 -0.405137D+01  0.185782D+01
                96            97            98            99           100 
      1  -0.465185D+00 -0.510827D+00  0.434710D+00 -0.717750D-01 -0.664602D-01
      2  -0.104879D+01 -0.275893D+01  0.467456D+00 -0.554952D+00 -0.413151D+00
      3   0.565051D+00 -0.474471D+00  0.695453D+00 -0.144667D+00  0.100487D+01
               101           102           103           104           105 
      1   0.158729D+00  0.165945D+01  0.533071D-01  0.447071D+00 -0.457135D+01
      2   0.621746D+00  0.150827D+01  0.327007D+00 -0.174797D+01 -0.299624D+01
      3  -0.307945D+01 -0.396714D+00 -0.672356D+00  0.150024D+02  0.151482D+01
               106           107           108           109           110 
      1  -0.415045D+00  0.176081D+01 -0.416717D+00  0.266514D+00 -0.173695D-01
      2  -0.981847D+00  0.500366D+00 -0.254091D+00  0.620109D+00 -0.646618D+00
      3  -0.220719D+00  0.134677D+01 -0.164996D+00 -0.686568D+01  0.525912D+01
               111           112           113           114           115 
      1   0.132774D+01 -0.333783D+00  0.659370D+00 -0.456388D+01 -0.508761D+00
      2   0.187855D+00 -0.916981D+00  0.965057D+00 -0.206271D+00 -0.118171D+01
      3   0.440743D+00  0.868082D+01 -0.121425D+02 -0.115580D+01  0.963707D+00
               116           117           118           119           120 
      1   0.203097D+01 -0.274475D+00 -0.647731D+00 -0.148990D+01  0.856911D+00
      2   0.329463D+00 -0.151520D+00 -0.117311D+01 -0.742945D-01  0.360388D+01
      3  -0.183111D+01  0.450281D-01 -0.849201D+00 -0.361171D+01  0.115672D+01
               121           122           123           124           125 
      1  -0.136640D+01 -0.611180D+00 -0.111283D+01  0.838885D+00  0.285850D+01
      2   0.279256D+00  0.211730D-01 -0.960174D+00  0.139733D+01 -0.472065D+00
      3  -0.232304D+01 -0.885725D+00  0.196146D+01  0.184668D+01  0.265914D+01
               126           127           128           129           130 
      1  -0.345087D+01  0.259286D+01  0.971167D-01  0.298560D+01 -0.202533D+01
      2  -0.143676D+02  0.798631D+01 -0.187735D+01  0.574099D+01 -0.235737D+01
      3  -0.291631D+00  0.199446D+02 -0.116466D+02 -0.178331D+01 -0.167731D+01
               131           132           133           134           135 
      1   0.906180D+01  0.758354D-01 -0.755419D-01  0.461504D+01 -0.104861D+02
      2   0.652653D+01  0.727610D+00 -0.731133D+00  0.320053D+01 -0.165565D+02
      3  -0.174971D+02 -0.757154D+01 -0.117325D+01 -0.713734D+01 -0.465647D+01
               136           137           138           139           140 
      1   0.227551D+01  0.542130D+00 -0.261125D+01  0.699340D+00  0.724841D+00
      2  -0.470297D+01 -0.183976D+01  0.615972D+01 -0.172511D+01 -0.183843D+01
      3   0.472690D+01 -0.440181D+01 -0.920900D+00  0.813389D+00 -0.219409D+01
               141           142           143           144           145 
      1  -0.155994D+01 -0.258040D+01  0.239685D+00  0.116943D+01 -0.101261D+01
      2   0.199847D+01  0.380927D+01  0.179061D+01 -0.259996D+01  0.165933D+01
      3   0.120395D+01 -0.225613D+01  0.319421D+01  0.770986D+00 -0.264213D+00
               146           147           148           149           150 
      1   0.202189D+00 -0.133439D+01  0.270486D+00 -0.141560D+01 -0.395236D+00
      2  -0.323991D+00  0.313333D+01 -0.838705D+00  0.107190D+01 -0.851422D+00
      3  -0.365881D+00  0.131889D+01  0.183281D+01  0.242760D+01 -0.153917D+01
               151           152           153           154           155 
      1  -0.360392D+01  0.282555D+01 -0.841915D+01  0.194175D+01  0.249395D+00
      2   0.286215D+01  0.156452D+01  0.162240D+02  0.454774D+00 -0.267943D+00
      3   0.388658D+01 -0.584185D+01  0.198816D+01  0.396254D+01  0.132864D+00
               156           157           158           159           160 
      1  -0.809658D+00  0.132624D+01  0.350167D+01 -0.670132D+01 -0.325488D+01
      2   0.127813D+01  0.461124D-01 -0.182779D+01  0.193777D+01 -0.727361D+00
      3  -0.208032D+01  0.179930D+01 -0.613928D+00  0.656932D+00 -0.660365D+01
               161           162           163           164           165 
      1  -0.837873D+01  0.139727D+02 -0.106190D+01  0.656049D+00  0.508827D+00
      2   0.365163D+01 -0.489003D+01  0.201696D+00 -0.299049D+00  0.722664D+00
      3  -0.162272D+00 -0.864418D+00 -0.109712D+01 -0.554671D+00  0.158423D+01
               166           167           168           169           170 
      1  -0.154703D+01 -0.749958D+01 -0.764418D+01 -0.157985D+01 -0.755105D+01
      2  -0.391260D+00  0.205938D+01  0.157333D+01 -0.760978D+00  0.223922D+01
      3   0.500541D+01 -0.456740D+01 -0.215130D+01  0.451857D+01 -0.398749D+01
               171           172           173           174           175 
      1  -0.641040D+01  0.682026D+00 -0.613715D+00 -0.188263D+01 -0.137497D+00
      2   0.129550D+01  0.204468D+01  0.514212D+00 -0.236765D+01  0.178283D+00
      3  -0.205236D+01 -0.110779D+00  0.151225D+01 -0.144302D+01  0.121901D+01
               176           177           178           179           180 
      1   0.105286D+01 -0.128493D+01  0.519414D+00  0.149445D+01  0.134204D+02
      2   0.127996D+01 -0.315209D+00 -0.243906D+01 -0.312321D+01  0.191452D+02
      3   0.150086D+01 -0.130277D+01 -0.181037D+01 -0.396171D+01  0.354276D+01
               181           182           183           184           185 
      1  -0.162795D+00  0.213016D+00  0.224464D+01  0.194617D+00 -0.635665D+00
      2  -0.403119D+01 -0.468334D-01  0.654063D+01  0.215236D+00 -0.947418D+00
      3  -0.173724D+02 -0.510038D+01  0.973995D+00 -0.143204D+01 -0.159878D+00
               186           187           188           189           190 
      1  -0.474742D+00  0.128472D+01  0.376789D+00  0.237295D+00 -0.991403D+00
      2   0.576905D+00  0.179829D+01 -0.373761D+00  0.298194D+00 -0.123213D+01
      3   0.110428D+01  0.151629D+01  0.196084D+01 -0.809629D+00  0.396527D+01
               191           192           193           194           195 
      1  -0.468265D+00 -0.182015D+01 -0.476421D+00 -0.538202D+01 -0.608818D+01
      2   0.237299D-01 -0.623433D+00 -0.457717D+00 -0.317396D+01 -0.330600D+01
      3   0.436220D+01  0.163604D+01  0.570790D+01  0.226348D+02  0.500596D+01
               196           197           198 
      1  -0.394958D+00 -0.204941D+01 -0.173636D+01
      2  -0.134244D+01 -0.264516D+01 -0.111455D+01
      3   0.241888D+01  0.676691D+01  0.406978D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843111D+00 -0.229721D+02 -0.149299D+01  0.274791D+02  0.598071D+01
      2  -0.468567D+01  0.163048D+02 -0.588154D+00 -0.284520D+02 -0.115375D+02
      3   0.384256D+01  0.666727D+01  0.208114D+01  0.972943D+00  0.555682D+01
      4  -0.199492D+02  0.576005D+01  0.524744D+01  0.641220D+01 -0.140631D+02
      5   0.177969D+01  0.576595D+01  0.704788D+01 -0.382894D+00 -0.299282D+01
      6   0.510274D+01  0.225474D+01  0.938578D+01 -0.327224D+01  0.594746D+00
                 6             7             8             9            10 
      1   0.519367D+00  0.644242D+01  0.631034D+01  0.193044D+01 -0.984076D+01
      2   0.929966D+00 -0.468126D+01 -0.542575D+01 -0.829381D+01  0.485369D+01
      3  -0.144933D+01 -0.176116D+01 -0.884584D+00  0.636337D+01  0.498707D+01
      4  -0.395852D+01  0.459373D+01 -0.235878D+01  0.169754D+02  0.464906D+01
      5   0.149625D+02  0.241565D+02  0.187714D+02  0.249694D+01  0.995768D+01
      6   0.490959D+01  0.107644D+02  0.160794D+02 -0.205093D+01 -0.794734D+00
                11            12            13            14            15 
      1   0.279943D+01  0.691112D+01 -0.124201D+02 -0.239157D+02 -0.233783D+01
      2  -0.701084D+00 -0.375499D+01  0.109917D+02  0.248835D+02  0.369605D+01
      3  -0.209835D+01 -0.315613D+01  0.142840D+01 -0.967818D+00 -0.135822D+01
      4   0.233692D+02 -0.916776D+00 -0.268584D+02  0.780929D+01  0.321906D+01
      5  -0.149398D+01  0.181287D+02 -0.559821D+01  0.254460D+01 -0.346324D+01
      6  -0.107570D+01 -0.185945D+01  0.289541D+01 -0.894947D+00 -0.630508D+01
                16            17            18            19            20 
      1   0.105557D+02 -0.391662D+01  0.152534D+02  0.135193D+02  0.196868D+02
      2  -0.368757D+01  0.263868D+01 -0.209649D+02 -0.124136D+02 -0.136735D+02
      3  -0.686813D+01  0.127794D+01  0.571157D+01 -0.110572D+01 -0.601336D+01
      4  -0.635746D+01 -0.956236D+00 -0.232066D+01  0.109625D+02 -0.125538D+02
      5   0.374031D+02 -0.400411D+01 -0.644236D+01  0.121104D+01 -0.395881D+01
      6  -0.295278D+00  0.496504D+01 -0.152845D+01 -0.226974D+01  0.507809D+01
                21            22            23            24            25 
      1  -0.849152D+00 -0.217573D+02  0.130723D+02  0.129857D+01  0.714352D-02
      2   0.373082D+00  0.211522D+02 -0.216964D+02 -0.405295D+01  0.199549D+01
      3   0.476070D+00  0.605153D+00  0.862414D+01  0.275438D+01 -0.200263D+01
      4  -0.351156D+01  0.900450D+01  0.417447D+01  0.226488D+01 -0.413519D+01
      5  -0.322563D+01 -0.727951D+00  0.269912D+01 -0.122748D+02  0.119698D+02
      6  -0.338767D+00  0.162430D+01 -0.504421D+01  0.663291D+01 -0.750959D+01
                26            27            28            29            30 
      1  -0.191050D+01 -0.411543D+01 -0.961529D+01 -0.260523D+02 -0.816194D+00
      2  -0.285811D+01 -0.585351D+01  0.868628D+01  0.193009D+02 -0.159357D+01
      3   0.476860D+01  0.996894D+01  0.929002D+00  0.675142D+01  0.240976D+01
      4   0.617301D+01 -0.162347D+02 -0.829253D+01 -0.779376D+01 -0.537550D+00
      5  -0.158683D+02 -0.192127D+01 -0.153486D+01 -0.177689D-01 -0.111917D+01
      6   0.133128D+02  0.220194D+01 -0.666559D+00 -0.368062D+01  0.229341D+01
                31            32            33            34            35 
      1  -0.134632D+02 -0.105309D+02 -0.791711D+00  0.197660D+01  0.697995D+00
      2   0.263089D+01  0.105013D+02  0.225019D+00 -0.276666D+01 -0.710982D+00
      3   0.108323D+02  0.296254D-01  0.566692D+00  0.790056D+00  0.129868D-01
      4   0.692270D+01 -0.839874D+01 -0.206189D+01 -0.102881D+01  0.177404D+01
      5  -0.270284D+01 -0.198005D+01 -0.966829D+00  0.127670D+01 -0.321446D+01
      6  -0.734970D+01 -0.174410D+01  0.264513D+01  0.247011D+01  0.105113D+02
                36            37            38            39            40 
      1  -0.125891D+02 -0.234822D+02  0.468723D+01 -0.948862D+00 -0.183673D+01
      2   0.272032D+01  0.762093D+01 -0.627064D+00  0.364149D+00  0.436558D+01
      3   0.986874D+01  0.158612D+02 -0.406016D+01  0.584714D+00 -0.252885D+01
      4  -0.176193D+01 -0.657682D+01  0.666051D+01  0.870384D+00 -0.836731D+01
      5   0.193896D+01 -0.797381D+01 -0.215059D+00  0.924949D+00  0.542610D+00
      6  -0.121221D+01  0.580687D+00 -0.193542D+01 -0.168375D+01  0.504271D+01
                41            42            43            44            45 
      1  -0.233560D+01  0.903480D+00  0.437702D+01 -0.212876D+01 -0.829046D+01
      2   0.104482D+02  0.134158D+01 -0.752479D+00  0.215691D+01 -0.316042D+01
      3  -0.811261D+01 -0.224506D+01 -0.362454D+01 -0.281520D-01  0.114509D+02
      4   0.650127D+01  0.318606D+01 -0.133756D+01  0.430115D+01 -0.150631D+01
      5   0.215762D+01  0.290835D+00  0.370070D+01  0.108728D+01  0.569061D+00
      6   0.109472D+01 -0.246989D+00 -0.144564D+01  0.432504D+01  0.101686D+01
                46            47            48            49            50 
      1   0.693047D+01  0.991247D+01 -0.114608D+01  0.298299D+01  0.767612D+01
      2  -0.414971D+01 -0.957713D+01  0.162844D+01  0.559206D+01 -0.149983D+02
      3  -0.278077D+01 -0.335334D+00 -0.482360D+00 -0.857505D+01  0.732222D+01
      4   0.993063D+01 -0.190301D+02 -0.197360D+01  0.151351D+02  0.128454D+02
      5   0.270902D+00 -0.206683D+01 -0.577173D+01  0.173205D+01  0.700047D+00
      6  -0.378246D+01  0.285500D+01 -0.785068D+01  0.429251D+00 -0.488096D+01
                51            52            53            54            55 
      1   0.230904D+01 -0.735846D+00  0.218721D+00 -0.166824D+02  0.183062D+02
      2  -0.359250D+01  0.191370D+01 -0.360166D+01  0.425560D+01 -0.478366D+01
      3   0.128346D+01 -0.117786D+01  0.338294D+01  0.124268D+02 -0.135225D+02
      4   0.273960D+00  0.249347D+01  0.418638D+01  0.682452D+01  0.111183D+02
      5   0.182046D+01  0.121837D+01  0.723945D+01  0.484155D+01  0.556346D+01
      6   0.690944D+01 -0.239482D+01  0.175705D+02  0.461574D+01 -0.318493D+00
                56            57            58            59            60 
      1   0.777732D+00 -0.653962D+00  0.464915D+01 -0.747258D+01  0.134551D+01
      2   0.209483D+01 -0.378563D+01 -0.423228D+00  0.509174D+00  0.870702D+00
      3  -0.287256D+01  0.443959D+01 -0.422592D+01  0.696341D+01 -0.221621D+01
      4  -0.979577D+01  0.114195D+00 -0.207561D+02 -0.614177D+01 -0.664995D+01
      5   0.116766D+01 -0.920068D+01  0.186601D+01 -0.677965D+01  0.355827D+01
      6  -0.335187D+01  0.315408D+01 -0.557750D+01  0.278735D+01 -0.229490D+01
                61            62            63            64            65 
      1  -0.113215D+02  0.211153D+01  0.437146D+01 -0.181992D+02 -0.178950D+02
      2  -0.112619D+02  0.339586D+01  0.111682D+02  0.375430D+01  0.960611D+01
      3   0.225833D+02 -0.550738D+01 -0.155397D+02  0.144449D+02  0.828887D+01
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      6   0.571424D-01  0.889758D+01  0.462021D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 20:42:59 2021, MaxMem=  5637144576 cpu:           38929.3 elap:            4901.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02503 -10.02105 -10.01878 -10.01747 -10.01731
 Alpha  occ. eigenvalues --  -10.01711 -10.01702 -10.01689 -10.01402 -10.00666
 Alpha  occ. eigenvalues --   -0.94679  -0.88979  -0.83984  -0.80257  -0.78687
 Alpha  occ. eigenvalues --   -0.72652  -0.68627  -0.65441  -0.64099  -0.58836
 Alpha  occ. eigenvalues --   -0.55275  -0.54069  -0.52062  -0.50688  -0.50337
 Alpha  occ. eigenvalues --   -0.48209  -0.46215  -0.46072  -0.44560  -0.42543
 Alpha  occ. eigenvalues --   -0.41298  -0.40758  -0.40093  -0.39274  -0.33085
 Alpha  occ. eigenvalues --   -0.31533
 Alpha virt. eigenvalues --    0.03027   0.03527   0.03768   0.04139   0.04976
 Alpha virt. eigenvalues --    0.05267   0.05457   0.05720   0.06364   0.06616
 Alpha virt. eigenvalues --    0.07135   0.07534   0.08213   0.09728   0.11012
 Alpha virt. eigenvalues --    0.11448   0.12489   0.12753   0.12970   0.13083
 Alpha virt. eigenvalues --    0.13370   0.13819   0.14209   0.14458   0.14769
 Alpha virt. eigenvalues --    0.15651   0.16057   0.16297   0.16484   0.16890
 Alpha virt. eigenvalues --    0.17322   0.17439   0.18269   0.18509   0.19096
 Alpha virt. eigenvalues --    0.19467   0.19857   0.20221   0.20806   0.21045
 Alpha virt. eigenvalues --    0.21318   0.22693   0.22750   0.23915   0.24296
 Alpha virt. eigenvalues --    0.24592   0.25358   0.25836   0.26452   0.26835
 Alpha virt. eigenvalues --    0.27418   0.27794   0.28205   0.28645   0.29116
 Alpha virt. eigenvalues --    0.29803   0.30171   0.30551   0.30858   0.31527
 Alpha virt. eigenvalues --    0.32945   0.33041   0.33559   0.34287   0.35111
 Alpha virt. eigenvalues --    0.35610   0.35927   0.36923   0.37323   0.37898
 Alpha virt. eigenvalues --    0.38595   0.39054   0.39495   0.39776   0.40823
 Alpha virt. eigenvalues --    0.41186   0.42673   0.42762   0.43685   0.44117
 Alpha virt. eigenvalues --    0.44638   0.45266   0.45709   0.46617   0.47134
 Alpha virt. eigenvalues --    0.47447   0.47712   0.49294   0.49420   0.50758
 Alpha virt. eigenvalues --    0.50892   0.51781   0.52079   0.52493   0.53503
 Alpha virt. eigenvalues --    0.53908   0.54112   0.55104   0.56035   0.57028
 Alpha virt. eigenvalues --    0.57938   0.58605   0.59555   0.59670   0.60381
 Alpha virt. eigenvalues --    0.60731   0.61152   0.61604   0.62379   0.62895
 Alpha virt. eigenvalues --    0.63271   0.63573   0.64241   0.64494   0.64775
 Alpha virt. eigenvalues --    0.65312   0.65670   0.66664   0.67784   0.68534
 Alpha virt. eigenvalues --    0.69564   0.70101   0.70776   0.70924   0.72022
 Alpha virt. eigenvalues --    0.72084   0.72478   0.73254   0.73822   0.74297
 Alpha virt. eigenvalues --    0.75727   0.76198   0.76381   0.77078   0.77600
 Alpha virt. eigenvalues --    0.78755   0.79470   0.80839   0.81231   0.81690
 Alpha virt. eigenvalues --    0.82459   0.83456   0.84060   0.84453   0.85025
 Alpha virt. eigenvalues --    0.85304   0.85694   0.85826   0.87253   0.87740
 Alpha virt. eigenvalues --    0.88830   0.89428   0.90264   0.92743   0.93443
 Alpha virt. eigenvalues --    0.94200   0.95476   0.96229   0.97694   0.99290
 Alpha virt. eigenvalues --    1.01184   1.01762   1.02561   1.03867   1.05708
 Alpha virt. eigenvalues --    1.07044   1.07631   1.08798   1.09493   1.10359
 Alpha virt. eigenvalues --    1.11167   1.13318   1.15021   1.16342   1.18130
 Alpha virt. eigenvalues --    1.19285   1.21347   1.21609   1.26352   1.27308
 Alpha virt. eigenvalues --    1.28530   1.31708   1.35196   1.37703   1.38115
 Alpha virt. eigenvalues --    1.39216   1.39761   1.40851   1.43328   1.43907
 Alpha virt. eigenvalues --    1.44846   1.45110   1.46763   1.47835   1.49327
 Alpha virt. eigenvalues --    1.50021   1.50520   1.52915   1.54414   1.55941
 Alpha virt. eigenvalues --    1.57282   1.58485   1.59726   1.60387   1.62449
 Alpha virt. eigenvalues --    1.63168   1.64829   1.65430   1.66716   1.67475
 Alpha virt. eigenvalues --    1.68865   1.69733   1.71096   1.72814   1.73546
 Alpha virt. eigenvalues --    1.74548   1.75291   1.75878   1.76592   1.79452
 Alpha virt. eigenvalues --    1.80004   1.81298   1.82097   1.82919   1.84475
 Alpha virt. eigenvalues --    1.85358   1.86424   1.87934   1.89882   1.90854
 Alpha virt. eigenvalues --    1.91211   1.91948   1.93306   1.94518   1.95975
 Alpha virt. eigenvalues --    1.98110   1.98960   2.01213   2.01808   2.03333
 Alpha virt. eigenvalues --    2.04533   2.04989   2.05949   2.06746   2.08341
 Alpha virt. eigenvalues --    2.10165   2.11734   2.12958   2.13318   2.14301
 Alpha virt. eigenvalues --    2.16415   2.17945   2.19154   2.20503   2.21667
 Alpha virt. eigenvalues --    2.24264   2.25849   2.27236   2.27490   2.27979
 Alpha virt. eigenvalues --    2.29240   2.30779   2.33155   2.35993   2.38293
 Alpha virt. eigenvalues --    2.39669   2.41495   2.43606   2.44805   2.48792
 Alpha virt. eigenvalues --    2.50434   2.53321   2.56279   2.57223   2.58438
 Alpha virt. eigenvalues --    2.60050   2.63143   2.63727   2.66458   2.69067
 Alpha virt. eigenvalues --    2.71337   2.71914   2.76360   2.78087   2.79949
 Alpha virt. eigenvalues --    2.83820   2.86442   2.88333   2.89659   2.90570
 Alpha virt. eigenvalues --    2.94143   3.00908   3.04436   3.09126   3.12328
 Alpha virt. eigenvalues --    3.17836   3.46645   3.55759   3.63145   3.79632
 Alpha virt. eigenvalues --    3.97915   4.69585
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.737830  -5.745845   5.987125  -4.971918   4.198870  -7.742914
     2  C   -5.745845  13.597103  -6.320886   3.652145  -5.165297   6.168950
     3  C    5.987125  -6.320886  24.102508  -9.674444   4.359215  -8.436020
     4  C   -4.971918   3.652145  -9.674444  29.401434 -14.225496   5.195208
     5  C    4.198870  -5.165297   4.359215 -14.225496  30.656300 -12.388870
     6  C   -7.742914   6.168950  -8.436020   5.195208 -12.388870  27.286454
     7  C    0.025986  -0.026100  -0.090994  -6.210773   0.784448  -3.021580
     8  C    0.096451  -0.129075  -0.212244  -0.449863  -0.612102  -0.508393
     9  C   -0.222028   0.287129  -2.971477   2.311768  -4.061130   0.901482
    10  H   -1.707884   0.841604  -0.271888   0.034391  -0.180390   0.786925
    11  H    0.906727  -1.659757   0.746364  -0.221608   0.018105  -0.279998
    12  H   -0.440322   0.678621  -2.307731   1.339736  -0.247047   0.294361
    13  H    0.785185  -0.382042   0.298969  -0.565702   1.527621  -2.882437
    14  H   -0.005934   0.000586   0.036614   0.380853   0.411903   0.246985
    15  C    0.032173  -0.032481  -0.009255   0.030913  -0.476146  -0.498911
    16  H    0.003097  -0.000264   0.040623   0.067860   0.026532  -0.108457
    17  H    0.018851  -0.018899   0.029028  -0.112390   0.266947   0.093666
    18  H   -0.021210   0.012865  -0.032294   0.037975   0.098881   0.111280
    19  H    0.040252  -0.125747   0.089431   0.097588   0.320117  -0.095685
    20  H   -0.001623   0.006950  -0.007416   0.118721  -0.311708   0.095667
    21  H   -0.006604   0.002250  -0.006195  -0.043351   0.375549  -0.065585
    22  H    0.043260  -0.009753  -0.006200  -0.068578  -0.191287  -0.038611
               7          8          9         10         11         12
     1  C    0.025986   0.096451  -0.222028  -1.707884   0.906727  -0.440322
     2  C   -0.026100  -0.129075   0.287129   0.841604  -1.659757   0.678621
     3  C   -0.090994  -0.212244  -2.971477  -0.271888   0.746364  -2.307731
     4  C   -6.210773  -0.449863   2.311768   0.034391  -0.221608   1.339736
     5  C    0.784448  -0.612102  -4.061130  -0.180390   0.018105  -0.247047
     6  C   -3.021580  -0.508393   0.901482   0.786925  -0.279998   0.294361
     7  C   15.393941   0.132652  -0.665611   0.054593  -0.024080  -0.013792
     8  C    0.132652   6.687624   0.194165  -0.001275   0.004757   0.009202
     9  C   -0.665611   0.194165  10.377724  -0.028702   0.047882   0.066338
    10  H    0.054593  -0.001275  -0.028702   2.563708  -0.168718  -0.027924
    11  H   -0.024080   0.004757   0.047882  -0.168718   2.539551  -0.187678
    12  H   -0.013792   0.009202   0.066338  -0.027924  -0.187678   2.619858
    13  H   -0.004621   0.110696  -0.058054  -0.199577  -0.030095   0.021716
    14  H   -1.164362   0.102692  -0.139636  -0.002139   0.000652  -0.002234
    15  C    0.779844  -0.073937  -0.040354   0.010409  -0.000437   0.002618
    16  H    0.336083  -0.530255   0.124446   0.000210   0.000311   0.000877
    17  H   -0.417824   0.041384  -0.079704   0.000556  -0.000141   0.003894
    18  H   -0.167354  -0.013980   0.064182  -0.000129  -0.000316   0.006526
    19  H    0.166371   0.111841  -0.709571   0.000577  -0.001408  -0.023415
    20  H    0.038767  -0.113663  -0.045783  -0.000254   0.000455   0.000087
    21  H   -0.296211   0.124129   0.021222   0.000869  -0.000045   0.000230
    22  H    0.477204  -0.125874   0.021219   0.000360  -0.000116  -0.000563
              13         14         15         16         17         18
     1  C    0.785185  -0.005934   0.032173   0.003097   0.018851  -0.021210
     2  C   -0.382042   0.000586  -0.032481  -0.000264  -0.018899   0.012865
     3  C    0.298969   0.036614  -0.009255   0.040623   0.029028  -0.032294
     4  C   -0.565702   0.380853   0.030913   0.067860  -0.112390   0.037975
     5  C    1.527621   0.411903  -0.476146   0.026532   0.266947   0.098881
     6  C   -2.882437   0.246985  -0.498911  -0.108457   0.093666   0.111280
     7  C   -0.004621  -1.164362   0.779844   0.336083  -0.417824  -0.167354
     8  C    0.110696   0.102692  -0.073937  -0.530255   0.041384  -0.013980
     9  C   -0.058054  -0.139636  -0.040354   0.124446  -0.079704   0.064182
    10  H   -0.199577  -0.002139   0.010409   0.000210   0.000556  -0.000129
    11  H   -0.030095   0.000652  -0.000437   0.000311  -0.000141  -0.000316
    12  H    0.021716  -0.002234   0.002618   0.000877   0.003894   0.006526
    13  H    3.226261   0.027886   0.100817  -0.001623   0.003790  -0.001616
    14  H    0.027886   1.839676  -0.286981  -0.220300   0.098411   0.060400
    15  C    0.100817  -0.286981   4.992227   0.079172  -0.122706   0.006070
    16  H   -0.001623  -0.220300   0.079172   2.079834  -0.351034  -0.218002
    17  H    0.003790   0.098411  -0.122706  -0.351034   2.043098   0.132203
    18  H   -0.001616   0.060400   0.006070  -0.218002   0.132203   1.370004
    19  H   -0.005518   0.000880  -0.001325   0.030180  -0.205923  -0.340843
    20  H   -0.022006   0.062518   0.391066  -0.006954  -0.016430  -0.000377
    21  H    0.013895  -0.016027   0.097435  -0.005428  -0.008476   0.001979
    22  H   -0.061000  -0.103707   0.179734   0.011228   0.001159  -0.000802
              19         20         21         22
     1  C    0.040252  -0.001623  -0.006604   0.043260
     2  C   -0.125747   0.006950   0.002250  -0.009753
     3  C    0.089431  -0.007416  -0.006195  -0.006200
     4  C    0.097588   0.118721  -0.043351  -0.068578
     5  C    0.320117  -0.311708   0.375549  -0.191287
     6  C   -0.095685   0.095667  -0.065585  -0.038611
     7  C    0.166371   0.038767  -0.296211   0.477204
     8  C    0.111841  -0.113663   0.124129  -0.125874
     9  C   -0.709571  -0.045783   0.021222   0.021219
    10  H    0.000577  -0.000254   0.000869   0.000360
    11  H   -0.001408   0.000455  -0.000045  -0.000116
    12  H   -0.023415   0.000087   0.000230  -0.000563
    13  H   -0.005518  -0.022006   0.013895  -0.061000
    14  H    0.000880   0.062518  -0.016027  -0.103707
    15  C   -0.001325   0.391066   0.097435   0.179734
    16  H    0.030180  -0.006954  -0.005428   0.011228
    17  H   -0.205923  -0.016430  -0.008476   0.001159
    18  H   -0.340843  -0.000377   0.001979  -0.000802
    19  H    1.877551   0.000546   0.001014  -0.000637
    20  H    0.000546   1.652708  -0.367870  -0.320935
    21  H    0.001014  -0.367870   1.807454  -0.435895
    22  H   -0.000637  -0.320935  -0.435895   1.878931
 Mulliken charges:
               1
     1  C   -0.009524
     2  C    0.367943
     3  C    0.657168
     4  C   -0.124467
     5  C    0.814984
     6  C    0.886485
     7  C   -0.086588
     8  C    1.155069
     9  C    0.604493
    10  H   -0.705321
    11  H   -0.690407
    12  H   -0.793358
    13  H   -0.902542
    14  H   -0.328736
    15  C    0.840055
    16  H   -0.358139
    17  H   -0.399460
    18  H   -0.105441
    19  H   -0.226273
    20  H   -0.152464
    21  H   -0.194339
    22  H   -0.249136
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.714845
     2  C   -0.322465
     3  C   -0.136189
     4  C   -0.124467
     5  C    0.814984
     6  C   -0.016058
     7  C   -0.415324
     8  C    0.397470
     9  C    0.272779
    15  C    0.244116
 Electronic spatial extent (au):  <R**2>=           1422.7373
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6745    Y=              0.2370    Z=             -0.1292  Tot=              0.7265
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.9344   YY=            -57.4013   ZZ=            -63.7731
   XY=              0.1197   XZ=             -1.1174   YZ=              0.5929
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7685   YY=              2.3016   ZZ=             -4.0702
   XY=              0.1197   XZ=             -1.1174   YZ=              0.5929
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.8374  YYY=             -0.6519  ZZZ=             -0.4584  XYY=             -3.9903
  XXY=              0.2414  XXZ=              0.9113  XZZ=              7.7644  YZZ=              2.4260
  YYZ=             -0.6832  XYZ=             -0.7228
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1173.4096 YYYY=           -645.7519 ZZZZ=           -119.0303 XXXY=              4.7630
 XXXZ=            -16.1668 YYYX=              3.0090 YYYZ=              8.0144 ZZZX=              0.5745
 ZZZY=             -1.7937 XXYY=           -307.8221 XXZZ=           -239.2935 YYZZ=           -135.0058
 XXYZ=              1.1532 YYXZ=             -3.4680 ZZXY=              0.0713
 N-N= 5.041844683919D+02 E-N=-1.906859038566D+03  KE= 3.852829503957D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 20:43:01 2021, MaxMem=  5637144576 cpu:              10.3 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28478003D-01 8.49444388D-02-4.65017555D-02
 Polarizability= 1.37957720D+02 1.63918920D+00 1.21489626D+02
                -3.54523752D+00 1.51232014D+00 7.49665008D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.7281    1.7280        0.9629    0.9628
 2     -1.7281   -1.7280       -0.7194   -0.7194       -9.3036   -9.3032
 3     -0.9629   -0.9628       33.3881   33.3886        0.7193    0.7194
 4      0.7194    0.7194       -0.0000    0.0000       -0.9625   -0.9628
 5    -24.0845  -24.0854        0.9625    0.9628        1.7283    1.7280
 6     -0.7193   -0.7194       -1.7283   -1.7280       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.1841   -5.1841        2.8884    2.8884
 2      2.1582    2.1582       -0.0000    0.0000        2.8884    2.8884
 3      2.1582    2.1582       -5.1841   -5.1841        0.0000    0.0000
 4     -5.1841   -5.1841       -2.1582   -2.1582      -27.9096  -27.9096
 5     -2.8884   -2.8884      100.1659  100.1659        2.1582    2.1582
 6    -72.2562  -72.2562        2.8884    2.8884        5.1841    5.1841
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0209    0.0000       -6.8684   -6.9122       -3.7707   -3.8512
 2      6.8915    6.9122        2.8756    2.8777       37.1981   37.2129
 3      3.8266    3.8512     -133.4875 -133.5545       -2.8937   -2.8777
 4     -2.8704   -2.8777       -0.0021    0.0000        3.8590    3.8512
 5     96.3451   96.3416       -3.8815   -3.8512       -6.8975   -6.9122
 6      2.8815    2.8777        6.9200    6.9122        0.0514    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0282    0.0000        2.8500    2.8080      -11.9988  -11.9826
 2     -2.7228   -2.8080       46.0958   46.1633       13.0179   12.9720
 3     11.9500   11.9826        9.8721    9.8873      -46.2851  -46.1633
 4    -46.1581  -46.1633        0.0057    0.0000       11.9708   11.9826
 5    -22.8865  -22.8593      -11.9824  -11.9826        2.7093    2.8080
 6     46.1958   46.1633       -2.8479   -2.8080        0.0191    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.4458    4.4318       28.8933   28.9232       16.9166   16.8810
 2    -65.1436  -65.1366       30.1280   30.1041       16.8968   16.8810
 3    -65.1355  -65.1366       28.9120   28.9232       28.9241   28.9274
 4     -1.1740   -1.1809       69.5274   69.5684        0.4239    0.3748
 5     12.0203   12.0465       19.7681   19.7506      -69.6360  -69.5684
 6    -20.1626  -20.1255      -12.0949  -12.0465        0.9706    1.1809
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.1738   -0.0008   -0.0005    0.0003    3.5765    6.0893
 Low frequencies ---  106.3497  149.1017  211.4380
 Diagonal vibrational polarizability:
        1.3206233       0.8750057       6.3154137
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.3496               149.1015               211.4379
 Red. masses --      2.7186                 2.4375                 2.3431
 Frc consts  --      0.0181                 0.0319                 0.0617
 IR Inten    --      0.0226                 0.9817                 0.9824
 RamAct Fr= 1--      1.6244                 2.9316                 1.4035
  Dep-P Fr= 1--      0.7239                 0.7420                 0.5625
  Dep-U Fr= 1--      0.8399                 0.8519                 0.7200
 Alpha2 Fr= 1--      0.0007                 0.0004                 0.0050
 Beta2  Fr= 1--      0.2274                 0.4162                 0.1684
 AlphaG Fr= 1--     -0.0006                 0.0014                -0.0030
 Gamma2 Fr= 1--      0.0575                 0.4655                 1.1997
 Delta2 Fr= 1--     -0.0111                 0.3717                 0.2679
 Raman1 Fr= 1--       6.497                 11.726                  5.614
 ROA1   Fr= 1--       5.159                 56.587                123.747
 CID1   Fr= 1--       0.794                  4.826                 22.043
 Raman2 Fr= 1--       2.729                  4.995                  2.021
 ROA2   Fr= 1--       1.468                  8.199                 26.650
 CID2   Fr= 1--       0.538                  1.642                 13.187
 Raman3 Fr= 1--       5.457                  9.989                  4.042
 ROA3   Fr= 1--       5.159                 56.587                123.747
 CID3   Fr= 1--       0.945                  5.665                 30.616
 RC180  Fr= 1--       0.680                  0.704                  0.440
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.04  -0.01   0.05     0.07  -0.04   0.12
     2   6     0.01  -0.02   0.07     0.04  -0.03   0.15     0.02  -0.04  -0.02
     3   6     0.02  -0.02   0.14     0.02  -0.01   0.04    -0.02  -0.01  -0.12
     4   6     0.01  -0.01   0.05     0.00   0.02  -0.12    -0.00   0.03  -0.07
     5   6     0.00  -0.00  -0.05     0.01   0.02  -0.15     0.01   0.04  -0.08
     6   6    -0.01   0.01  -0.16     0.03   0.01  -0.11     0.06   0.01   0.05
     7   6     0.00  -0.03  -0.02     0.02   0.03  -0.00    -0.00   0.01  -0.06
     8   6     0.04   0.02  -0.18    -0.05  -0.00   0.14     0.04   0.00  -0.06
     9   6    -0.01   0.00   0.01     0.01   0.01  -0.11     0.00   0.05   0.17
    10   1    -0.01   0.00  -0.19     0.06  -0.03   0.13     0.10  -0.07   0.26
    11   1     0.02  -0.02   0.14     0.06  -0.05   0.31     0.02  -0.06  -0.02
    12   1     0.03  -0.03   0.25     0.01  -0.02   0.11    -0.06  -0.02  -0.16
    13   1    -0.02   0.01  -0.27     0.03   0.02  -0.14     0.10   0.02   0.12
    14   1     0.06  -0.21  -0.00     0.17   0.10   0.02     0.04  -0.03  -0.05
    15   6    -0.07   0.05   0.21    -0.10  -0.03   0.04    -0.16  -0.04   0.01
    16   1    -0.05   0.01  -0.35     0.07  -0.00   0.37    -0.03   0.04  -0.17
    17   1     0.24   0.09  -0.21    -0.31  -0.05   0.19     0.21  -0.04  -0.09
    18   1    -0.13   0.07   0.03     0.15  -0.14  -0.18    -0.00   0.35   0.31
    19   1     0.06  -0.05   0.07    -0.06   0.11  -0.23    -0.00  -0.17   0.41
    20   1    -0.14   0.25   0.20    -0.35  -0.15  -0.01    -0.35  -0.07  -0.02
    21   1    -0.06  -0.00   0.26    -0.07   0.01   0.30    -0.13  -0.10   0.21
    22   1    -0.07  -0.01   0.36     0.01   0.01  -0.13    -0.14  -0.01  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    238.2188               264.2644               397.4969
 Red. masses --      1.1483                 2.4856                 2.6060
 Frc consts  --      0.0384                 0.1023                 0.2426
 IR Inten    --      0.0084                 1.6566                 0.3911
 RamAct Fr= 1--      0.0996                 0.4693                 1.0233
  Dep-P Fr= 1--      0.4845                 0.7260                 0.1118
  Dep-U Fr= 1--      0.6527                 0.8412                 0.2012
 Alpha2 Fr= 1--      0.0005                 0.0002                 0.0174
 Beta2  Fr= 1--      0.0108                 0.0658                 0.0343
 AlphaG Fr= 1--      0.0020                -0.0021                 0.0106
 Gamma2 Fr= 1--      0.0331                -0.5189                -0.4289
 Delta2 Fr= 1--      0.0398                -0.0722                -0.1232
 Raman1 Fr= 1--       0.398                  1.877                  4.093
 ROA1   Fr= 1--       4.448                -52.125                -45.120
 CID1   Fr= 1--      11.167                -27.765                -11.023
 Raman2 Fr= 1--       0.130                  0.790                  0.412
 ROA2   Fr= 1--       0.476                -11.877                 -9.309
 CID2   Fr= 1--       3.661                -15.040                -22.608
 Raman3 Fr= 1--       0.260                  1.579                  0.823
 ROA3   Fr= 1--       4.448                -52.125                -45.120
 CID3   Fr= 1--      17.109                -33.004                -54.792
 RC180  Fr= 1--       0.305                  0.682                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.06   0.04   0.08    -0.01   0.00   0.02
     2   6    -0.01   0.03  -0.01    -0.02   0.05   0.07    -0.02  -0.01   0.13
     3   6     0.01   0.01   0.00     0.02   0.01  -0.09    -0.04   0.01  -0.14
     4   6     0.00  -0.02   0.01    -0.00  -0.05  -0.12    -0.02   0.01  -0.01
     5   6    -0.01  -0.03   0.00    -0.02  -0.06  -0.13     0.01   0.01   0.09
     6   6    -0.03  -0.01   0.01    -0.08  -0.02  -0.08    -0.03   0.03  -0.16
     7   6    -0.00  -0.02  -0.01     0.02  -0.04  -0.03     0.03  -0.01   0.17
     8   6    -0.00  -0.01  -0.03    -0.03  -0.05   0.05     0.04   0.09  -0.03
     9   6    -0.00  -0.02   0.02    -0.02  -0.03   0.10    -0.04   0.03  -0.00
    10   1    -0.05   0.03   0.01    -0.07   0.05   0.21     0.00  -0.01   0.04
    11   1    -0.01   0.05  -0.02     0.00   0.09   0.19    -0.00  -0.03   0.28
    12   1     0.03   0.02  -0.00     0.08   0.04  -0.09    -0.06   0.02  -0.31
    13   1    -0.05  -0.02   0.02    -0.14  -0.04  -0.08    -0.05   0.04  -0.35
    14   1    -0.00  -0.03  -0.01     0.09  -0.03  -0.02    -0.01  -0.02   0.17
    15   6     0.07   0.04   0.01     0.15   0.10   0.05     0.06  -0.14  -0.01
    16   1    -0.02  -0.02  -0.07    -0.02  -0.01   0.11    -0.08   0.06  -0.28
    17   1     0.04  -0.01  -0.04    -0.05  -0.14   0.05     0.27   0.30  -0.06
    18   1    -0.02   0.02   0.03     0.05   0.18   0.21    -0.07   0.05   0.01
    19   1     0.00  -0.04   0.04    -0.09  -0.19   0.27    -0.07   0.01   0.01
    20   1    -0.34  -0.27  -0.07     0.40   0.35   0.10     0.13  -0.39   0.01
    21   1     0.09   0.41   0.45     0.12   0.11  -0.21     0.06  -0.15  -0.07
    22   1     0.53   0.03  -0.33     0.10  -0.00   0.34     0.01  -0.04  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    423.4984               458.9573               519.9511
 Red. masses --      2.8403                 2.9757                 3.9080
 Frc consts  --      0.3001                 0.3693                 0.6225
 IR Inten    --      1.2983                 4.9778                 1.0822
 RamAct Fr= 1--      0.2935                 1.4695                 7.0076
  Dep-P Fr= 1--      0.7438                 0.1303                 0.1927
  Dep-U Fr= 1--      0.8531                 0.2305                 0.3232
 Alpha2 Fr= 1--      0.0000                 0.0239                 0.0970
 Beta2  Fr= 1--      0.0417                 0.0565                 0.3774
 AlphaG Fr= 1--      0.0004                 0.0191                -0.0463
 Gamma2 Fr= 1--      0.5687                 0.0414                -1.7401
 Delta2 Fr= 1--      0.0727                 0.0450                -0.4197
 Raman1 Fr= 1--       1.174                  5.878                 28.030
 ROA1   Fr= 1--      56.925                  5.417               -180.480
 CID1   Fr= 1--      48.483                  0.922                 -6.439
 Raman2 Fr= 1--       0.501                  0.678                  4.529
 ROA2   Fr= 1--      13.068                  0.634                -38.406
 CID2   Fr= 1--      26.094                  0.936                 -8.480
 Raman3 Fr= 1--       1.002                  1.355                  9.058
 ROA3   Fr= 1--      56.925                  5.417               -180.480
 CID3   Fr= 1--      56.835                  3.998                -19.924
 RC180  Fr= 1--       0.706                 -0.539                 -0.354
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.08   0.05     0.02   0.03   0.14     0.09   0.02  -0.15
     2   6    -0.00  -0.09   0.03     0.03   0.06  -0.04     0.22   0.04   0.14
     3   6    -0.09   0.01  -0.09     0.06   0.01  -0.10     0.11   0.09  -0.09
     4   6    -0.02   0.13   0.10     0.05  -0.12   0.23     0.03  -0.02  -0.09
     5   6    -0.07   0.10   0.08     0.04  -0.09   0.04    -0.03  -0.07   0.19
     6   6     0.02   0.06  -0.10    -0.02  -0.05  -0.12     0.07  -0.12   0.03
     7   6    -0.11  -0.04  -0.03     0.03   0.07  -0.09    -0.16  -0.02   0.02
     8   6     0.04  -0.15   0.00    -0.02   0.05   0.02    -0.14  -0.04  -0.02
     9   6     0.15   0.01  -0.00    -0.05  -0.07   0.01    -0.07   0.02   0.00
    10   1     0.08  -0.12   0.07    -0.02   0.06   0.22    -0.04   0.13  -0.34
    11   1    -0.01  -0.14   0.03     0.02   0.10  -0.18     0.23   0.01   0.28
    12   1    -0.25  -0.03  -0.26     0.12   0.07  -0.41     0.13   0.10  -0.16
    13   1     0.13   0.12  -0.29    -0.13  -0.06  -0.38     0.08  -0.10  -0.08
    14   1    -0.20  -0.07  -0.05     0.02   0.11  -0.09    -0.33  -0.04  -0.02
    15   6     0.01   0.08   0.01    -0.09   0.08  -0.02    -0.08   0.07  -0.03
    16   1     0.12  -0.25   0.07    -0.02   0.13   0.09    -0.08  -0.10   0.05
    17   1    -0.03  -0.24   0.01    -0.08  -0.02   0.02    -0.21  -0.08  -0.01
    18   1     0.19  -0.12  -0.06    -0.20  -0.31  -0.11    -0.05   0.25   0.12
    19   1     0.34   0.11  -0.09    -0.04   0.09  -0.17    -0.14  -0.16   0.20
    20   1     0.05   0.16   0.02    -0.22   0.18  -0.04    -0.06   0.07  -0.03
    21   1    -0.01   0.29  -0.02    -0.06  -0.06   0.11    -0.09   0.17  -0.05
    22   1     0.20  -0.02   0.12    -0.17   0.08   0.03    -0.00   0.04  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    534.3372               593.4048               621.4727
 Red. masses --      4.2641                 3.1132                 3.2123
 Frc consts  --      0.7173                 0.6459                 0.7310
 IR Inten    --      0.5710                 1.4833                 0.8010
 RamAct Fr= 1--      4.5172                 1.1144                 2.2030
  Dep-P Fr= 1--      0.7333                 0.5068                 0.2905
  Dep-U Fr= 1--      0.8462                 0.6727                 0.4503
 Alpha2 Fr= 1--      0.0013                 0.0053                 0.0232
 Beta2  Fr= 1--      0.6370                 0.1249                 0.1653
 AlphaG Fr= 1--      0.0030                 0.0193                -0.0040
 Gamma2 Fr= 1--      0.6635                 0.3524                 0.2990
 Delta2 Fr= 1--      0.2514                 0.1644                -0.1717
 Raman1 Fr= 1--      18.069                  4.458                  8.812
 ROA1   Fr= 1--      71.742                 39.090                 23.215
 CID1   Fr= 1--       3.970                  8.769                  2.634
 Raman2 Fr= 1--       7.645                  1.499                  1.984
 ROA2   Fr= 1--      13.912                  7.142                  8.551
 CID2   Fr= 1--       1.820                  4.763                  4.310
 Raman3 Fr= 1--      15.289                  2.999                  3.968
 ROA3   Fr= 1--      71.742                 39.090                 23.215
 CID3   Fr= 1--       4.692                 13.036                  5.851
 RC180  Fr= 1--       0.692                  0.345                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.10  -0.07     0.03  -0.06   0.12    -0.12  -0.10   0.06
     2   6    -0.03  -0.06   0.07     0.14   0.01  -0.16     0.04  -0.05  -0.05
     3   6     0.07  -0.12  -0.05     0.08   0.06   0.09     0.13  -0.11   0.02
     4   6     0.09  -0.03  -0.09     0.02   0.03  -0.00     0.14   0.06   0.04
     5   6    -0.04  -0.06   0.05    -0.12  -0.02  -0.12     0.00   0.00   0.04
     6   6    -0.15  -0.07   0.05    -0.02  -0.11  -0.10    -0.11   0.03  -0.02
     7   6    -0.01   0.15   0.04    -0.16   0.00   0.17     0.00  -0.06  -0.04
     8   6     0.20   0.08   0.07    -0.02   0.03   0.02    -0.11   0.06  -0.05
     9   6     0.18   0.00   0.00     0.02   0.02   0.00     0.02   0.25  -0.04
    10   1    -0.23  -0.08  -0.14    -0.05   0.01   0.39    -0.14  -0.09   0.01
    11   1     0.01   0.10   0.19     0.13   0.03  -0.20     0.06   0.16  -0.17
    12   1     0.06  -0.13  -0.02     0.05   0.02   0.27     0.06  -0.13  -0.09
    13   1    -0.17  -0.08   0.08     0.07  -0.09   0.04    -0.07   0.06  -0.16
    14   1    -0.06   0.26   0.02    -0.06   0.03   0.18    -0.01  -0.14  -0.04
    15   6    -0.11   0.17  -0.06    -0.02   0.02  -0.01     0.04  -0.08   0.03
    16   1     0.14  -0.01  -0.12    -0.11  -0.14  -0.29     0.11  -0.00   0.31
    17   1     0.37   0.14   0.04     0.25   0.23  -0.02    -0.49  -0.04   0.01
    18   1     0.29  -0.03  -0.00     0.03  -0.08  -0.04    -0.10   0.45   0.05
    19   1     0.05   0.03  -0.04    -0.02   0.09  -0.08     0.08   0.08   0.16
    20   1    -0.16   0.15  -0.07     0.23  -0.17   0.04     0.02  -0.09   0.02
    21   1    -0.10   0.07  -0.01    -0.06   0.21  -0.24     0.05  -0.10   0.04
    22   1    -0.20   0.21  -0.09     0.07   0.03  -0.11     0.03  -0.08   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    732.6043               751.3681               767.8037
 Red. masses --      3.2203                 2.3853                 1.5851
 Frc consts  --      1.0183                 0.7934                 0.5506
 IR Inten    --      4.0162                18.1070                37.6064
 RamAct Fr= 1--      2.6665                16.6101                 7.7847
  Dep-P Fr= 1--      0.1004                 0.0612                 0.1990
  Dep-U Fr= 1--      0.1825                 0.1153                 0.3319
 Alpha2 Fr= 1--      0.0466                 0.3195                 0.1060
 Beta2  Fr= 1--      0.0811                 0.3193                 0.4306
 AlphaG Fr= 1--      0.0254                -0.0205                 0.0064
 Gamma2 Fr= 1--     -0.6082                -0.5656                -0.1183
 Delta2 Fr= 1--     -0.2504                -0.1194                 0.0071
 Raman1 Fr= 1--      10.666                 66.440                 31.139
 ROA1   Fr= 1--     -66.401                -58.121                -11.127
 CID1   Fr= 1--      -6.225                 -0.875                 -0.357
 Raman2 Fr= 1--       0.973                  3.831                  5.168
 ROA2   Fr= 1--     -12.594                -12.619                 -2.896
 CID2   Fr= 1--     -12.938                 -3.294                 -0.560
 Raman3 Fr= 1--       1.947                  7.662                 10.335
 ROA3   Fr= 1--     -66.401                -58.121                -11.127
 CID3   Fr= 1--     -34.109                 -7.585                 -1.077
 RC180  Fr= 1--      -0.635                 -0.769                 -0.336
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05  -0.16    -0.00   0.05  -0.05    -0.00  -0.01  -0.03
     2   6     0.10  -0.02   0.10    -0.05  -0.01  -0.04    -0.01   0.02  -0.09
     3   6    -0.00   0.07  -0.14     0.10  -0.15  -0.07    -0.06   0.07  -0.01
     4   6     0.02   0.05   0.20     0.08  -0.05   0.02    -0.03   0.01  -0.00
     5   6    -0.07   0.02  -0.19     0.07   0.05   0.01    -0.01  -0.04   0.11
     6   6    -0.03  -0.06   0.10     0.01   0.19  -0.03    -0.01  -0.09  -0.07
     7   6     0.00  -0.03  -0.05    -0.07  -0.03   0.05     0.05   0.02  -0.03
     8   6    -0.02   0.05   0.01    -0.06  -0.05  -0.00     0.03   0.02  -0.03
     9   6    -0.01   0.05   0.07    -0.05  -0.04   0.02     0.03   0.03  -0.02
    10   1    -0.11  -0.00   0.12     0.20  -0.11   0.43     0.00  -0.00   0.54
    11   1     0.14  -0.01   0.34     0.03   0.08   0.46     0.05  -0.10   0.52
    12   1    -0.08   0.03  -0.11     0.23  -0.15   0.25    -0.04   0.02   0.40
    13   1     0.07  -0.07   0.49     0.07   0.18   0.33    -0.01  -0.12   0.20
    14   1     0.16  -0.02  -0.02    -0.10  -0.04   0.04    -0.08  -0.01  -0.05
    15   6     0.04  -0.07   0.03    -0.05   0.04  -0.02     0.02  -0.01   0.00
    16   1    -0.09   0.11  -0.06    -0.11  -0.09  -0.11     0.12   0.05   0.17
    17   1     0.09   0.02  -0.01     0.04  -0.01  -0.02    -0.16  -0.06   0.01
    18   1    -0.11  -0.31  -0.11    -0.09  -0.15  -0.03    -0.02   0.11   0.02
    19   1     0.09   0.32  -0.21    -0.06   0.03  -0.06     0.08  -0.03   0.06
    20   1     0.06  -0.03   0.03     0.05  -0.01   0.00    -0.10   0.04  -0.02
    21   1     0.04  -0.03   0.01    -0.07   0.16  -0.11     0.05  -0.14   0.11
    22   1     0.09  -0.10   0.07     0.03   0.03  -0.04    -0.06   0.01   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    814.9262               857.7579               881.8694
 Red. masses --      2.1386                 2.8230                 1.3484
 Frc consts  --      0.8368                 1.2238                 0.6178
 IR Inten    --      0.4324                 0.1904                 0.0980
 RamAct Fr= 1--      1.8374                 7.9218                 0.8298
  Dep-P Fr= 1--      0.7179                 0.0879                 0.6434
  Dep-U Fr= 1--      0.8358                 0.1616                 0.7830
 Alpha2 Fr= 1--      0.0010                 0.1429                 0.0016
 Beta2  Fr= 1--      0.2560                 0.2133                 0.1083
 AlphaG Fr= 1--      0.0004                 0.0611                 0.0072
 Gamma2 Fr= 1--      0.9111                 0.5265                -1.0561
 Delta2 Fr= 1--      1.1047                 0.3863                -0.6702
 Raman1 Fr= 1--       7.350                 31.687                  3.319
 ROA1   Fr= 1--     122.818                 62.905               -122.835
 CID1   Fr= 1--      16.710                  1.985                -37.008
 Raman2 Fr= 1--       3.071                  2.560                  1.300
 ROA2   Fr= 1--      13.029                  9.546                -19.986
 CID2   Fr= 1--       4.242                  3.729                -15.379
 Raman3 Fr= 1--       6.143                  5.119                  2.599
 ROA3   Fr= 1--     122.818                 62.905               -122.835
 CID3   Fr= 1--      19.994                 12.288                -47.261
 RC180  Fr= 1--       0.672                 -0.677                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.05     0.09   0.11   0.01     0.00  -0.01   0.06
     2   6    -0.11   0.02   0.06    -0.15   0.03   0.00    -0.01   0.00  -0.05
     3   6    -0.04  -0.03  -0.01    -0.02  -0.07  -0.02    -0.01   0.01  -0.10
     4   6     0.01  -0.06   0.10     0.02  -0.03  -0.02     0.00  -0.00   0.03
     5   6     0.02  -0.05  -0.11     0.04  -0.09   0.00     0.00   0.00  -0.04
     6   6     0.04  -0.07  -0.00     0.06  -0.10   0.00     0.01  -0.01   0.09
     7   6    -0.02   0.03   0.11    -0.11  -0.09  -0.07     0.01   0.02   0.03
     8   6    -0.00  -0.03  -0.07     0.02   0.07   0.08    -0.03  -0.01  -0.03
     9   6     0.08   0.06  -0.06     0.03   0.21   0.04     0.02  -0.01   0.01
    10   1     0.09   0.05   0.08     0.11   0.09  -0.08    -0.05   0.03  -0.39
    11   1    -0.14  -0.06  -0.06    -0.15  -0.09   0.10     0.04  -0.02   0.32
    12   1     0.02   0.02  -0.22     0.11  -0.03   0.13     0.06  -0.05   0.58
    13   1    -0.06  -0.14   0.24    -0.12  -0.15  -0.15    -0.06   0.03  -0.53
    14   1     0.11  -0.06   0.14    -0.16   0.01  -0.08     0.10  -0.03   0.04
    15   6    -0.04   0.07   0.01    -0.02  -0.06  -0.02    -0.00   0.02   0.01
    16   1     0.21  -0.25   0.16    -0.04  -0.05  -0.14     0.01  -0.03   0.02
    17   1    -0.31   0.05  -0.00     0.28   0.02   0.03    -0.08  -0.00  -0.02
    18   1    -0.14   0.32   0.06     0.22  -0.08  -0.09    -0.07  -0.03  -0.00
    19   1     0.28  -0.15   0.20    -0.11   0.42  -0.21     0.12   0.01   0.00
    20   1     0.13  -0.21   0.04    -0.01   0.19  -0.01     0.05  -0.11   0.02
    21   1    -0.07   0.08  -0.19    -0.04   0.19   0.01    -0.01  -0.01  -0.06
    22   1    -0.10   0.18  -0.22     0.23  -0.25   0.25    -0.06   0.08  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    918.3026               935.9965               961.9110
 Red. masses --      1.9168                 1.3693                 1.2360
 Frc consts  --      0.9524                 0.7068                 0.6738
 IR Inten    --      0.1240                 0.5917                 0.0175
 RamAct Fr= 1--      1.2661                 0.2945                 0.0341
  Dep-P Fr= 1--      0.7247                 0.5453                 0.6201
  Dep-U Fr= 1--      0.8404                 0.7057                 0.7655
 Alpha2 Fr= 1--      0.0006                 0.0012                 0.0001
 Beta2  Fr= 1--      0.1773                 0.0346                 0.0044
 AlphaG Fr= 1--     -0.0019                 0.0037                -0.0035
 Gamma2 Fr= 1--      0.4552                 0.1008                 0.0017
 Delta2 Fr= 1--      0.0237                 0.0491                 0.0099
 Raman1 Fr= 1--       5.064                  1.178                  0.137
 ROA1   Fr= 1--      44.457                 11.248                  0.475
 CID1   Fr= 1--       8.778                  9.547                  3.481
 Raman2 Fr= 1--       2.128                  0.416                  0.052
 ROA2   Fr= 1--      10.735                  2.026                 -0.039
 CID2   Fr= 1--       5.045                  4.874                 -0.750
 Raman3 Fr= 1--       4.256                  0.831                  0.104
 ROA3   Fr= 1--      44.457                 11.248                  0.475
 CID3   Fr= 1--      10.446                 13.528                  4.548
 RC180  Fr= 1--       0.681                  0.411                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.01  -0.00   0.06    -0.01   0.01  -0.09
     2   6     0.02   0.00  -0.01     0.01  -0.00   0.07     0.01  -0.01   0.09
     3   6    -0.00   0.01  -0.01    -0.01   0.00  -0.09    -0.01   0.00  -0.05
     4   6    -0.01  -0.04   0.03     0.00  -0.00  -0.00    -0.00   0.00  -0.01
     5   6    -0.04   0.04  -0.03    -0.00  -0.00   0.03     0.00  -0.00   0.01
     6   6    -0.00   0.03   0.03    -0.01   0.00  -0.11     0.01  -0.00   0.05
     7   6    -0.07  -0.04  -0.02    -0.01  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.20   0.11   0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
     9   6    -0.05  -0.06  -0.05     0.00  -0.00   0.02     0.00  -0.00  -0.01
    10   1     0.02  -0.02  -0.00    -0.03   0.03  -0.34     0.07  -0.04   0.59
    11   1     0.03  -0.01   0.08    -0.05   0.04  -0.42    -0.07   0.04  -0.57
    12   1     0.02   0.01   0.02     0.07  -0.05   0.52     0.04  -0.03   0.37
    13   1     0.05   0.07  -0.12     0.06  -0.05   0.56    -0.04   0.03  -0.39
    14   1    -0.11  -0.11  -0.02    -0.11  -0.08  -0.02    -0.01   0.03  -0.00
    15   6    -0.05  -0.05  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.36   0.13   0.35     0.06   0.07   0.10    -0.01  -0.02  -0.02
    17   1    -0.19   0.05   0.09    -0.09  -0.07  -0.01     0.01   0.02   0.00
    18   1    -0.28   0.15   0.04    -0.06  -0.08  -0.01     0.01   0.02   0.00
    19   1    -0.25  -0.22   0.10     0.02   0.06  -0.04    -0.00  -0.02   0.01
    20   1     0.15   0.04   0.04     0.00  -0.02   0.00    -0.02   0.02  -0.01
    21   1    -0.10   0.34  -0.14    -0.00  -0.01   0.00     0.01  -0.01   0.02
    22   1     0.28  -0.22   0.15    -0.00   0.01  -0.01    -0.00  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    969.7726               982.9209              1037.2100
 Red. masses --      1.3951                 2.1838                 2.2217
 Frc consts  --      0.7730                 1.2431                 1.4082
 IR Inten    --      0.6958                 0.7782                 0.6274
 RamAct Fr= 1--      0.1213                 3.0619                19.8693
  Dep-P Fr= 1--      0.6316                 0.2711                 0.1543
  Dep-U Fr= 1--      0.7742                 0.4265                 0.2674
 Alpha2 Fr= 1--      0.0003                 0.0342                 0.3038
 Beta2  Fr= 1--      0.0157                 0.2177                 0.8856
 AlphaG Fr= 1--     -0.0037                 0.0195                -0.0537
 Gamma2 Fr= 1--     -0.0684                -0.8749                 0.7790
 Delta2 Fr= 1--      0.2668                 0.2467                -0.5720
 Raman1 Fr= 1--       0.485                 12.248                 79.477
 ROA1   Fr= 1--       1.968                -76.090                 56.482
 CID1   Fr= 1--       4.054                 -6.213                  0.711
 Raman2 Fr= 1--       0.188                  2.612                 10.627
 ROA2   Fr= 1--      -3.777                -22.970                 23.273
 CID2   Fr= 1--     -20.104                 -8.795                  2.190
 Raman3 Fr= 1--       0.376                  5.224                 21.254
 ROA3   Fr= 1--       1.968                -76.090                 56.482
 CID3   Fr= 1--       5.237                -14.566                  2.658
 RC180  Fr= 1--       0.548                 -0.147                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02     0.02   0.01   0.00     0.07   0.10  -0.00
     2   6     0.02  -0.00   0.00    -0.04  -0.00   0.00     0.02  -0.00  -0.01
     3   6    -0.00   0.01  -0.03     0.01  -0.02  -0.01     0.03  -0.12   0.00
     4   6     0.00  -0.00   0.06     0.02  -0.00   0.02    -0.02  -0.01  -0.03
     5   6    -0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.12   0.04  -0.04
     6   6    -0.01   0.02  -0.01     0.01   0.01  -0.00    -0.01  -0.01   0.02
     7   6     0.01   0.02   0.03    -0.06   0.02  -0.01    -0.10   0.13   0.02
     8   6     0.02  -0.08   0.06    -0.14   0.15  -0.00     0.06  -0.00  -0.06
     9   6    -0.05   0.03  -0.09     0.17  -0.14  -0.02    -0.01  -0.02   0.05
    10   1    -0.02   0.00  -0.11     0.06  -0.02  -0.05     0.03   0.14   0.01
    11   1     0.02   0.00   0.01    -0.04  -0.02   0.02     0.04   0.00   0.02
    12   1     0.00  -0.01   0.14     0.04  -0.01   0.01    -0.01  -0.13  -0.10
    13   1     0.02   0.01   0.10     0.04   0.01   0.03    -0.06  -0.01  -0.09
    14   1     0.02   0.44   0.01    -0.13   0.22  -0.04    -0.45   0.17  -0.05
    15   6     0.03  -0.03  -0.06     0.02  -0.08  -0.01     0.14  -0.04   0.04
    16   1     0.02  -0.39  -0.19    -0.26   0.35  -0.05     0.21  -0.13   0.14
    17   1     0.13   0.26   0.06    -0.14   0.34   0.01    -0.13  -0.20  -0.04
    18   1    -0.18   0.28   0.02     0.22   0.09   0.09    -0.14  -0.15  -0.02
    19   1    -0.04  -0.17   0.13     0.39  -0.29   0.17    -0.04   0.08  -0.07
    20   1    -0.20   0.32  -0.09    -0.05   0.15  -0.02    -0.15  -0.06  -0.01
    21   1     0.06  -0.07   0.21     0.03   0.02   0.12     0.20  -0.46   0.29
    22   1     0.04  -0.14   0.23     0.14  -0.21   0.22    -0.18   0.05   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1053.0252              1102.3884              1106.3668
 Red. masses --      2.0945                 1.6201                 2.0587
 Frc consts  --      1.3684                 1.1600                 1.4847
 IR Inten    --      3.8036                 2.6229                 2.2774
 RamAct Fr= 1--     30.0114                 0.7028                 1.0989
  Dep-P Fr= 1--      0.0389                 0.7338                 0.5781
  Dep-U Fr= 1--      0.0749                 0.8465                 0.7326
 Alpha2 Fr= 1--      0.6087                 0.0002                 0.0035
 Beta2  Fr= 1--      0.3744                 0.0991                 0.1342
 AlphaG Fr= 1--      0.0418                -0.0031                 0.0193
 Gamma2 Fr= 1--     -0.6035                 0.3484                 0.2152
 Delta2 Fr= 1--     -0.7448                 0.3469                 0.3356
 Raman1 Fr= 1--     120.046                  2.811                  4.395
 ROA1   Fr= 1--     -81.765                 44.549                 31.402
 CID1   Fr= 1--      -0.681                 15.848                  7.144
 Raman2 Fr= 1--       4.493                  1.190                  1.610
 ROA2   Fr= 1--      -8.525                  5.588                  2.481
 CID2   Fr= 1--      -1.897                  4.697                  1.541
 Raman3 Fr= 1--       8.986                  2.379                  3.220
 ROA3   Fr= 1--     -81.765                 44.549                 31.402
 CID3   Fr= 1--      -9.099                 18.722                  9.751
 RC180  Fr= 1--      -0.850                  0.693                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.15   0.00    -0.03  -0.01   0.00     0.02  -0.05  -0.01
     2   6     0.17  -0.07  -0.02     0.02  -0.00  -0.00     0.01  -0.05  -0.01
     3   6    -0.07  -0.09  -0.00    -0.00   0.01   0.03    -0.02   0.13   0.01
     4   6    -0.02   0.00   0.01    -0.03   0.00  -0.09     0.02  -0.07  -0.00
     5   6     0.01  -0.03   0.01     0.06  -0.02  -0.01     0.02  -0.07  -0.05
     6   6    -0.12   0.06   0.01     0.00   0.00   0.01    -0.06   0.11   0.03
     7   6     0.03  -0.05  -0.01     0.04  -0.01   0.10    -0.05  -0.12   0.05
     8   6    -0.01   0.01   0.02     0.00  -0.01  -0.08    -0.00   0.08   0.01
     9   6     0.02   0.00  -0.02    -0.01   0.01   0.11     0.05   0.02   0.02
    10   1    -0.06   0.27   0.03    -0.06   0.02   0.03     0.29  -0.27  -0.06
    11   1     0.15  -0.28  -0.04     0.02   0.03  -0.02    -0.05  -0.39  -0.01
    12   1    -0.50  -0.26   0.06    -0.04   0.01  -0.09     0.17   0.21  -0.03
    13   1    -0.55  -0.10   0.07    -0.06  -0.02  -0.06    -0.19   0.08  -0.01
    14   1     0.14  -0.07   0.01     0.00   0.16   0.08    -0.26  -0.21   0.01
    15   6    -0.03   0.02  -0.01    -0.04  -0.03  -0.07     0.06   0.07  -0.05
    16   1    -0.06   0.07  -0.02     0.14  -0.08   0.12     0.10  -0.11   0.04
    17   1     0.04   0.08   0.02    -0.27   0.15  -0.02    -0.06   0.09   0.02
    18   1     0.07   0.07   0.01    -0.39  -0.29  -0.05    -0.01  -0.03  -0.00
    19   1     0.07  -0.03   0.03     0.46   0.25  -0.10    -0.15   0.04  -0.03
    20   1     0.02   0.02  -0.01    -0.08   0.30  -0.08    -0.27   0.11  -0.11
    21   1    -0.04   0.10  -0.06    -0.05   0.20   0.06     0.11  -0.27   0.17
    22   1     0.01   0.01  -0.03     0.13  -0.18   0.19    -0.25   0.16  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1130.4591              1182.3228              1184.7116
 Red. masses --      2.1900                 1.2158                 1.5869
 Frc consts  --      1.6489                 1.0013                 1.3123
 IR Inten    --      0.2800                 0.3149                 0.2666
 RamAct Fr= 1--      1.1996                 5.4149                 3.4485
  Dep-P Fr= 1--      0.6760                 0.3230                 0.5863
  Dep-U Fr= 1--      0.8067                 0.4883                 0.7392
 Alpha2 Fr= 1--      0.0016                 0.0518                 0.0105
 Beta2  Fr= 1--      0.1613                 0.4407                 0.4249
 AlphaG Fr= 1--      0.0186                -0.0301                 0.0040
 Gamma2 Fr= 1--      0.5426                 0.6067                -0.3971
 Delta2 Fr= 1--      0.0683                 0.3331                -0.2223
 Raman1 Fr= 1--       4.798                 21.659                 13.794
 ROA1   Fr= 1--      54.276                 68.903                -45.237
 CID1   Fr= 1--      11.311                  3.181                 -3.280
 Raman2 Fr= 1--       1.935                  5.289                  5.098
 ROA2   Fr= 1--      12.475                 11.897                 -7.752
 CID2   Fr= 1--       6.446                  2.250                 -1.520
 Raman3 Fr= 1--       3.871                 10.577                 10.197
 ROA3   Fr= 1--      54.276                 68.903                -45.237
 CID3   Fr= 1--      14.021                  6.514                 -4.436
 RC180  Fr= 1--       0.613                 -0.023                  0.478
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.00     0.01  -0.05  -0.00     0.08  -0.01  -0.01
     2   6     0.04  -0.04  -0.01     0.02   0.07   0.00    -0.05   0.00   0.01
     3   6    -0.01   0.09   0.01    -0.06   0.00   0.01     0.05   0.01  -0.00
     4   6    -0.02  -0.10  -0.02     0.00  -0.02   0.01     0.06   0.10  -0.00
     5   6     0.06  -0.04   0.03     0.06  -0.01  -0.02    -0.08   0.03   0.01
     6   6    -0.07   0.08   0.00     0.01  -0.00   0.00    -0.07  -0.05   0.00
     7   6    -0.05   0.19  -0.08    -0.03   0.01   0.01     0.04   0.01   0.02
     8   6    -0.03  -0.01  -0.03    -0.02   0.03  -0.01     0.03  -0.06  -0.00
     9   6     0.03   0.03   0.02     0.02  -0.01   0.01    -0.06  -0.01  -0.01
    10   1     0.17  -0.18  -0.03     0.29  -0.28  -0.06     0.53  -0.38  -0.08
    11   1    -0.01  -0.28  -0.03     0.12   0.67   0.04    -0.05   0.01   0.00
    12   1     0.18   0.16   0.00    -0.47  -0.16   0.04     0.17   0.06  -0.01
    13   1    -0.29  -0.01   0.07    -0.16  -0.07   0.01    -0.51  -0.21   0.03
    14   1     0.11   0.38  -0.06    -0.10  -0.01  -0.00     0.08   0.03   0.03
    15   6    -0.02  -0.10   0.10     0.01  -0.01  -0.00    -0.01  -0.01  -0.01
    16   1     0.08  -0.33  -0.07     0.05  -0.13  -0.01    -0.12   0.33   0.04
    17   1     0.00  -0.17  -0.05    -0.03  -0.05  -0.02     0.03  -0.03   0.00
    18   1     0.05  -0.04  -0.01     0.10  -0.01   0.01    -0.12   0.01  -0.01
    19   1    -0.01   0.06  -0.03    -0.15  -0.01  -0.02     0.09  -0.02   0.01
    20   1     0.30  -0.23   0.16    -0.02   0.01  -0.01     0.02   0.05  -0.01
    21   1    -0.07   0.16  -0.14     0.01  -0.01   0.02    -0.02   0.07   0.00
    22   1     0.21  -0.13   0.01    -0.01  -0.01   0.02     0.03  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1194.1833              1217.7573              1242.5518
 Red. masses --      1.5167                 1.5827                 1.9720
 Frc consts  --      1.2743                 1.3828                 1.7939
 IR Inten    --      0.7081                 0.0174                 2.8113
 RamAct Fr= 1--      1.4098                11.8501                27.1548
  Dep-P Fr= 1--      0.4640                 0.1959                 0.0810
  Dep-U Fr= 1--      0.6339                 0.3276                 0.1498
 Alpha2 Fr= 1--      0.0082                 0.1627                 0.4980
 Beta2  Fr= 1--      0.1489                 0.6469                 0.6781
 AlphaG Fr= 1--      0.0020                -0.0598                -0.0289
 Gamma2 Fr= 1--     -0.1537                 1.9413                -1.4924
 Delta2 Fr= 1--      0.0792                 0.5474                -0.3393
 Raman1 Fr= 1--       5.639                 47.400                108.619
 ROA1   Fr= 1--     -12.218                203.879               -154.130
 CID1   Fr= 1--      -2.167                  4.301                 -1.419
 Raman2 Fr= 1--       1.787                  7.763                  8.137
 ROA2   Fr= 1--      -4.321                 42.211                -33.104
 CID2   Fr= 1--      -2.418                  5.437                 -4.068
 Raman3 Fr= 1--       3.574                 15.526                 16.275
 ROA3   Fr= 1--     -12.218                203.879               -154.130
 CID3   Fr= 1--      -3.418                 13.131                 -9.471
 RC180  Fr= 1--       0.268                 -0.345                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.01     0.01  -0.02  -0.00     0.08   0.00  -0.01
     2   6     0.01  -0.02  -0.00     0.06   0.02  -0.01     0.04   0.05  -0.00
     3   6    -0.01   0.02  -0.00    -0.02  -0.02   0.00    -0.03  -0.06  -0.01
     4   6     0.00  -0.02   0.05    -0.12  -0.11  -0.00    -0.07  -0.11   0.02
     5   6     0.06   0.00  -0.06    -0.01  -0.02  -0.01    -0.16   0.03   0.05
     6   6     0.01   0.00   0.01    -0.01   0.04   0.01    -0.07   0.02   0.00
     7   6     0.03   0.07   0.13    -0.01   0.00  -0.02     0.07  -0.02   0.03
     8   6    -0.00  -0.04  -0.07     0.04  -0.02   0.07    -0.02   0.02  -0.07
     9   6    -0.03   0.02  -0.03    -0.05   0.07  -0.05     0.04   0.04   0.03
    10   1    -0.14   0.08   0.01     0.08  -0.08  -0.01     0.18  -0.08  -0.02
    11   1    -0.00  -0.12   0.00     0.11   0.26   0.01     0.06   0.13   0.01
    12   1     0.03   0.03   0.02     0.24   0.07  -0.02     0.27   0.04  -0.01
    13   1    -0.08  -0.03  -0.02     0.06   0.07  -0.01     0.29   0.15   0.00
    14   1    -0.34  -0.07   0.06    -0.24  -0.12  -0.06     0.57  -0.03   0.14
    15   6    -0.02  -0.04  -0.05     0.01   0.01   0.02    -0.02  -0.00  -0.06
    16   1    -0.08   0.33   0.09    -0.12   0.29   0.01     0.11  -0.14   0.04
    17   1     0.03  -0.46  -0.09     0.19  -0.05   0.04    -0.11  -0.02  -0.05
    18   1     0.53   0.09   0.02     0.01   0.14  -0.01     0.41  -0.02   0.02
    19   1    -0.19  -0.03   0.00     0.73   0.06   0.06    -0.22   0.08  -0.05
    20   1    -0.04   0.20  -0.05     0.01  -0.07   0.02    -0.04   0.17  -0.06
    21   1    -0.02   0.13   0.09     0.01  -0.04  -0.01    -0.00   0.05   0.05
    22   1     0.07  -0.13   0.14    -0.03   0.04  -0.04     0.05  -0.07   0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1297.0190              1305.9485              1324.7066
 Red. masses --      1.3692                 1.6613                 1.3799
 Frc consts  --      1.3571                 1.6694                 1.4267
 IR Inten    --      1.3353                 0.3038                 1.5608
 RamAct Fr= 1--      3.5642                 4.8302                 3.2150
  Dep-P Fr= 1--      0.2537                 0.4261                 0.2758
  Dep-U Fr= 1--      0.4047                 0.5976                 0.4324
 Alpha2 Fr= 1--      0.0418                 0.0325                 0.0354
 Beta2  Fr= 1--      0.2404                 0.4810                 0.2317
 AlphaG Fr= 1--     -0.0496                 0.0186                 0.0283
 Gamma2 Fr= 1--      1.0176                -0.0847                -0.7155
 Delta2 Fr= 1--      0.5789                -0.5897                -0.4899
 Raman1 Fr= 1--      14.257                 19.321                 12.860
 ROA1   Fr= 1--     116.218                -26.999                -84.362
 CID1   Fr= 1--       8.152                 -1.397                 -6.560
 Raman2 Fr= 1--       2.885                  5.773                  2.780
 ROA2   Fr= 1--      19.792                  2.686                -13.252
 CID2   Fr= 1--       6.861                  0.465                 -4.766
 Raman3 Fr= 1--       5.770                 11.545                  5.561
 ROA3   Fr= 1--     116.218                -26.999                -84.362
 CID3   Fr= 1--      20.144                 -2.339                -15.171
 RC180  Fr= 1--      -0.191                  0.195                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00    -0.04   0.04   0.01     0.03  -0.03  -0.00
     2   6     0.01  -0.04  -0.00    -0.01  -0.04  -0.00     0.01   0.04   0.00
     3   6     0.02  -0.03  -0.01     0.05   0.03  -0.01    -0.04  -0.01   0.00
     4   6    -0.08   0.07   0.03    -0.02   0.04   0.02     0.03  -0.04   0.00
     5   6     0.04   0.06  -0.00     0.00  -0.11   0.01    -0.01   0.04  -0.02
     6   6     0.04  -0.02  -0.01     0.04   0.03  -0.01    -0.04  -0.01   0.01
     7   6    -0.00  -0.00  -0.03    -0.09  -0.07  -0.01     0.08  -0.01  -0.03
     8   6     0.01   0.05  -0.00     0.08  -0.02  -0.07     0.01  -0.10  -0.02
     9   6    -0.07  -0.05   0.02    -0.09  -0.00   0.02     0.01   0.03   0.04
    10   1    -0.11   0.06   0.01     0.11  -0.08  -0.02    -0.03   0.03   0.00
    11   1     0.04   0.15   0.01     0.01   0.05   0.00    -0.00  -0.05  -0.00
    12   1     0.37   0.10  -0.03    -0.15  -0.05   0.02     0.03   0.02  -0.01
    13   1    -0.41  -0.19   0.03     0.11   0.06   0.01     0.04   0.02  -0.01
    14   1    -0.03  -0.23  -0.02     0.28   0.61   0.03    -0.52   0.15  -0.15
    15   6     0.01  -0.00  -0.00     0.02   0.03   0.03    -0.02   0.01   0.04
    16   1     0.19  -0.42  -0.03     0.06   0.27   0.13    -0.06   0.13   0.02
    17   1    -0.12   0.25   0.03    -0.18   0.15  -0.01    -0.23   0.66   0.06
    18   1     0.45  -0.02   0.05     0.47   0.02   0.05     0.18  -0.05   0.00
    19   1     0.12  -0.03   0.01     0.12   0.06  -0.02    -0.21   0.07  -0.04
    20   1    -0.02   0.02  -0.01    -0.04  -0.11   0.02     0.09  -0.05   0.06
    21   1     0.01  -0.01   0.00     0.01  -0.07  -0.05    -0.04   0.04  -0.10
    22   1    -0.02   0.01  -0.01    -0.08   0.08  -0.05     0.04   0.06  -0.12
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1335.0554              1358.9384              1367.5134
 Red. masses --      1.5676                 3.2740                 1.6180
 Frc consts  --      1.6462                 3.5623                 1.7827
 IR Inten    --      2.2313                 5.1057                 4.5271
 RamAct Fr= 1--      1.7686                12.2643                 7.3032
  Dep-P Fr= 1--      0.7172                 0.0871                 0.4990
  Dep-U Fr= 1--      0.8353                 0.1602                 0.6658
 Alpha2 Fr= 1--      0.0010                 0.2216                 0.0362
 Beta2  Fr= 1--      0.2462                 0.3274                 0.8104
 AlphaG Fr= 1--      0.0141                -0.0253                 0.0520
 Gamma2 Fr= 1--      0.4864                -0.3346                 1.3162
 Delta2 Fr= 1--      0.0253                -0.3085                 0.6560
 Raman1 Fr= 1--       7.074                 49.057                 29.213
 ROA1   Fr= 1--      47.504                -41.997                147.349
 CID1   Fr= 1--       6.715                 -0.856                  5.044
 Raman2 Fr= 1--       2.955                  3.929                  9.725
 ROA2   Fr= 1--      11.471                 -5.564                 26.341
 CID2   Fr= 1--       3.883                 -1.416                  2.709
 Raman3 Fr= 1--       5.909                  7.858                 19.450
 ROA3   Fr= 1--      47.504                -41.997                147.349
 CID3   Fr= 1--       8.039                 -5.345                  7.576
 RC180  Fr= 1--       0.671                 -0.680                  0.332
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.01     0.09  -0.12  -0.02     0.03  -0.01  -0.00
     2   6     0.02   0.01  -0.00    -0.01   0.17   0.01    -0.00   0.02   0.00
     3   6    -0.07  -0.03   0.01    -0.11  -0.02   0.01    -0.02  -0.02   0.00
     4   6    -0.05  -0.02  -0.00     0.21  -0.07  -0.03     0.01   0.02   0.00
     5   6     0.07   0.09   0.01     0.10   0.14   0.01    -0.02   0.04  -0.01
     6   6     0.02  -0.00  -0.00    -0.13  -0.06   0.01    -0.03  -0.02   0.00
     7   6    -0.09  -0.06   0.01    -0.13   0.00  -0.01     0.11  -0.14   0.02
     8   6     0.01  -0.04  -0.02     0.03   0.02   0.01    -0.04   0.11  -0.01
     9   6     0.09   0.02  -0.00    -0.15  -0.03   0.00    -0.02  -0.03  -0.01
    10   1    -0.26   0.17   0.04    -0.18   0.10   0.03    -0.01   0.02   0.00
    11   1     0.06   0.19   0.01    -0.12  -0.40  -0.02    -0.00  -0.00  -0.00
    12   1     0.36   0.13  -0.03    -0.18  -0.05   0.02     0.09   0.02  -0.01
    13   1    -0.36  -0.15   0.04     0.11   0.03  -0.00     0.01  -0.00  -0.01
    14   1     0.26   0.34   0.06     0.32  -0.04   0.08    -0.35   0.63  -0.11
    15   6     0.03   0.01   0.01     0.04   0.01  -0.02    -0.04   0.04   0.04
    16   1    -0.12   0.35   0.04     0.04  -0.04  -0.03     0.13  -0.26   0.00
    17   1    -0.01  -0.08  -0.02    -0.06  -0.03   0.02     0.16  -0.47  -0.08
    18   1    -0.26   0.02  -0.02     0.34  -0.04   0.01     0.00   0.04   0.02
    19   1    -0.28   0.00  -0.03     0.49   0.01   0.04     0.11  -0.01  -0.01
    20   1    -0.11  -0.03  -0.02    -0.10  -0.06  -0.04     0.07  -0.09   0.05
    21   1     0.02  -0.02  -0.02     0.06  -0.11   0.06    -0.06   0.00  -0.13
    22   1    -0.12   0.06  -0.00    -0.07  -0.01   0.09     0.06   0.06  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1413.0918              1483.8545              1491.6230
 Red. masses --      1.2311                 1.1182                 1.4232
 Frc consts  --      1.4484                 1.4506                 1.8656
 IR Inten    --      3.6476                 2.9737                 5.5882
 RamAct Fr= 1--      0.4862                11.7878                 3.7105
  Dep-P Fr= 1--      0.7293                 0.5590                 0.7369
  Dep-U Fr= 1--      0.8434                 0.7171                 0.8485
 Alpha2 Fr= 1--      0.0002                 0.0428                 0.0008
 Beta2  Fr= 1--      0.0683                 1.4088                 0.5247
 AlphaG Fr= 1--      0.0008                -0.0124                -0.0037
 Gamma2 Fr= 1--      0.1511                -1.9096                -2.9495
 Delta2 Fr= 1--     -0.0655                -1.1698                 1.2792
 Raman1 Fr= 1--       1.945                 47.151                 14.842
 ROA1   Fr= 1--      12.407               -220.758               -242.215
 CID1   Fr= 1--       6.380                 -4.682                -16.320
 Raman2 Fr= 1--       0.820                 16.906                  6.297
 ROA2   Fr= 1--       4.151                -36.472                -81.021
 CID2   Fr= 1--       5.061                 -2.157                -12.867
 Raman3 Fr= 1--       1.640                 33.812                 12.593
 ROA3   Fr= 1--      12.407               -220.758               -242.215
 CID3   Fr= 1--       7.564                 -6.529                -19.234
 RC180  Fr= 1--       0.687                  0.434                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.09  -0.03  -0.01
     2   6    -0.00   0.01   0.00     0.01   0.01  -0.00    -0.05  -0.08  -0.00
     3   6     0.01  -0.00  -0.00    -0.02  -0.02   0.00    -0.03   0.05   0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.00  -0.01
     5   6    -0.01   0.00   0.00     0.02  -0.02  -0.00    -0.04  -0.05   0.00
     6   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.01   0.05   0.01
     7   6    -0.00   0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
     8   6    -0.00   0.01   0.00     0.04   0.01   0.02     0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.00     0.01  -0.07   0.01    -0.02   0.00  -0.00
    10   1     0.02  -0.02  -0.00     0.05  -0.04  -0.01    -0.25   0.26   0.05
    11   1    -0.01  -0.03  -0.00     0.01  -0.02  -0.00     0.01   0.34   0.02
    12   1    -0.03  -0.01   0.00     0.07   0.02  -0.01     0.01   0.07   0.00
    13   1     0.04   0.01  -0.00     0.09   0.03  -0.01    -0.06   0.05   0.01
    14   1    -0.00  -0.00  -0.01    -0.02  -0.02  -0.00     0.02   0.01  -0.00
    15   6     0.07  -0.10   0.06     0.00  -0.01  -0.00    -0.03  -0.04  -0.01
    16   1     0.03  -0.04   0.02    -0.16  -0.02  -0.35    -0.03   0.01  -0.06
    17   1     0.04  -0.03  -0.00    -0.36  -0.12   0.08    -0.06  -0.04   0.02
    18   1    -0.00   0.00  -0.00    -0.06   0.51   0.26     0.02  -0.04  -0.02
    19   1     0.03  -0.01   0.01    -0.02   0.36  -0.44     0.06  -0.02   0.03
    20   1    -0.35   0.45  -0.03     0.05   0.00   0.01     0.49   0.31   0.09
    21   1    -0.05   0.47  -0.32     0.00   0.06   0.06     0.03   0.04   0.45
    22   1    -0.36   0.22  -0.36    -0.06   0.01  -0.00    -0.08   0.14  -0.34
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1499.0883              1499.5237              1503.0984
 Red. masses --      1.1196                 1.3717                 1.1064
 Frc consts  --      1.4825                 1.8172                 1.4727
 IR Inten    --      2.6461                 2.2977                 9.0771
 RamAct Fr= 1--      6.8259                 4.6382                 5.0524
  Dep-P Fr= 1--      0.2279                 0.7149                 0.7391
  Dep-U Fr= 1--      0.3712                 0.8337                 0.8500
 Alpha2 Fr= 1--      0.0860                 0.0028                 0.0009
 Beta2  Fr= 1--      0.4224                 0.6445                 0.7158
 AlphaG Fr= 1--     -0.0853                 0.0033                 0.0005
 Gamma2 Fr= 1--      0.0134                 4.1961                -1.7679
 Delta2 Fr= 1--      0.8519                -0.1049                -0.7216
 Raman1 Fr= 1--      27.304                 18.553                 20.210
 ROA1   Fr= 1--      28.544                399.469               -192.814
 CID1   Fr= 1--       1.045                 21.532                 -9.541
 Raman2 Fr= 1--       5.068                  7.734                  8.589
 ROA2   Fr= 1--      -6.495                101.545                -36.657
 CID2   Fr= 1--      -1.281                 13.130                 -4.268
 Raman3 Fr= 1--      10.136                 15.468                 17.178
 ROA3   Fr= 1--      28.544                399.469               -192.814
 CID3   Fr= 1--       2.816                 25.825                -11.224
 RC180  Fr= 1--      -0.258                  0.667                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00    -0.08   0.01   0.01    -0.03   0.01   0.00
     2   6    -0.02  -0.02   0.00     0.04   0.08   0.00     0.02   0.02  -0.00
     3   6    -0.01   0.01   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6     0.03   0.00  -0.00    -0.06  -0.01   0.01    -0.02   0.01   0.00
     5   6    -0.00  -0.02  -0.00     0.03   0.05   0.00     0.03   0.01  -0.00
     6   6    -0.01   0.02   0.00     0.03  -0.04  -0.01    -0.00  -0.02  -0.00
     7   6    -0.02   0.02   0.01    -0.03  -0.03  -0.01    -0.02  -0.00   0.01
     8   6    -0.05  -0.02  -0.02    -0.03  -0.00  -0.01     0.04   0.01   0.01
     9   6    -0.01  -0.04   0.01     0.02  -0.01  -0.00     0.01   0.02  -0.00
    10   1    -0.08   0.08   0.02     0.17  -0.21  -0.03     0.09  -0.08  -0.02
    11   1     0.00   0.10   0.01    -0.03  -0.33  -0.02     0.01  -0.09  -0.01
    12   1     0.00   0.02   0.00    -0.06  -0.08   0.00     0.03  -0.01  -0.00
    13   1    -0.03   0.01   0.00    -0.01  -0.06  -0.00     0.03  -0.01  -0.01
    14   1     0.04  -0.06   0.03     0.03   0.05  -0.00     0.04  -0.01   0.03
    15   6    -0.01   0.01   0.02    -0.02  -0.02  -0.02    -0.03   0.00   0.03
    16   1     0.16   0.03   0.38     0.12   0.02   0.26    -0.13   0.02  -0.27
    17   1     0.38   0.15  -0.08     0.27   0.10  -0.05    -0.28  -0.13   0.06
    18   1    -0.02   0.30   0.15    -0.02   0.11   0.05    -0.00  -0.16  -0.08
    19   1     0.02   0.22  -0.27    -0.02   0.06  -0.09    -0.02  -0.12   0.15
    20   1    -0.15   0.20  -0.02     0.46   0.22   0.08    -0.00   0.40   0.02
    21   1    -0.01  -0.32  -0.24     0.04   0.04   0.46     0.00  -0.42  -0.14
    22   1     0.36  -0.04  -0.16    -0.12   0.12  -0.26     0.45   0.03  -0.39
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1515.4996              1628.0046              1650.5991
 Red. masses --      2.3931                 6.2034                 6.3481
 Frc consts  --      3.2383                 9.6871                10.1900
 IR Inten    --     16.8126                 0.4329                 1.1794
 RamAct Fr= 1--      1.6646                13.1800                23.5067
  Dep-P Fr= 1--      0.4442                 0.6322                 0.7427
  Dep-U Fr= 1--      0.6151                 0.7747                 0.8523
 Alpha2 Fr= 1--      0.0104                 0.0282                 0.0029
 Beta2  Fr= 1--      0.1707                 1.7018                 3.3392
 AlphaG Fr= 1--     -0.0147                -0.0282                 0.0098
 Gamma2 Fr= 1--      0.3103                 0.2193                 0.0074
 Delta2 Fr= 1--      0.0245                -0.5795                -0.0030
 Raman1 Fr= 1--       6.658                 52.720                 94.027
 ROA1   Fr= 1--      30.577                  2.507                  0.619
 CID1   Fr= 1--       4.592                  0.048                  0.007
 Raman2 Fr= 1--       2.048                 20.421                 40.071
 ROA2   Fr= 1--       7.252                  9.899                  0.202
 CID2   Fr= 1--       3.541                  0.485                  0.005
 Raman3 Fr= 1--       4.096                 40.842                 80.142
 ROA3   Fr= 1--      30.577                  2.507                  0.619
 CID3   Fr= 1--       7.465                  0.061                  0.008
 RC180  Fr= 1--       0.230                  0.549                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.00     0.18  -0.28  -0.04     0.20  -0.01  -0.02
     2   6     0.07  -0.03  -0.01    -0.03   0.34   0.03    -0.14  -0.12   0.01
     3   6    -0.15  -0.07   0.01     0.09  -0.14  -0.02     0.33   0.11  -0.03
     4   6     0.02   0.17   0.01    -0.19   0.23   0.04    -0.29  -0.03   0.03
     5   6     0.13  -0.10  -0.02    -0.00  -0.31  -0.02     0.23   0.16  -0.01
     6   6    -0.15  -0.06   0.01    -0.01   0.17   0.01    -0.32  -0.13   0.03
     7   6    -0.03   0.03   0.00     0.01   0.03   0.00    -0.03  -0.02   0.00
     8   6    -0.02  -0.01  -0.01     0.02   0.00  -0.00     0.00  -0.01  -0.00
     9   6    -0.00  -0.02  -0.01     0.03  -0.01  -0.01     0.04   0.01  -0.00
    10   1     0.24  -0.09  -0.03    -0.39   0.18   0.06    -0.05   0.21   0.02
    11   1     0.12   0.17  -0.00    -0.17  -0.42  -0.01    -0.11   0.18   0.02
    12   1     0.50   0.19  -0.04    -0.02  -0.20  -0.01    -0.41  -0.18   0.03
    13   1     0.52   0.19  -0.04    -0.18   0.12   0.03     0.43   0.15  -0.03
    14   1    -0.04  -0.04  -0.00    -0.04  -0.04  -0.01    -0.02   0.02  -0.00
    15   6    -0.00  -0.01  -0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    16   1     0.08   0.01   0.17     0.02   0.01   0.00    -0.01   0.03   0.00
    17   1     0.17   0.07  -0.03    -0.01  -0.00   0.00    -0.01   0.03   0.00
    18   1    -0.06  -0.14  -0.06    -0.05  -0.07  -0.04    -0.00   0.02   0.01
    19   1    -0.11  -0.14   0.11    -0.14  -0.09   0.07    -0.08  -0.00  -0.01
    20   1     0.07  -0.02   0.01    -0.01  -0.02   0.00     0.03   0.01   0.00
    21   1     0.00   0.06   0.09    -0.01   0.02  -0.04     0.01  -0.04   0.05
    22   1    -0.07   0.01   0.02     0.03  -0.02   0.03    -0.01   0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   2975.1996              3010.4162              3027.1549
 Red. masses --      1.0817                 1.0712                 1.0386
 Frc consts  --      5.6412                 5.7196                 5.6073
 IR Inten    --     22.0783                29.9334                13.4248
 RamAct Fr= 1--    190.7582               205.0994               120.7819
  Dep-P Fr= 1--      0.1690                 0.1550                 0.0347
  Dep-U Fr= 1--      0.2892                 0.2684                 0.0670
 Alpha2 Fr= 1--      2.8089                 3.1307                 2.4741
 Beta2  Fr= 1--      9.1938                 9.1742                 1.3494
 AlphaG Fr= 1--      0.1335                -0.0560                 0.0164
 Gamma2 Fr= 1--      5.7653                -6.0132                 4.4525
 Delta2 Fr= 1--      0.9848                 6.5231                 4.1987
 Raman1 Fr= 1--     763.033                820.397                483.128
 ROA1   Fr= 1--     584.987               -368.532                561.802
 CID1   Fr= 1--       0.767                 -0.449                  1.163
 Raman2 Fr= 1--     110.326                110.090                 16.193
 ROA2   Fr= 1--     130.489               -196.502                 73.271
 CID2   Fr= 1--       1.183                 -1.785                  4.525
 Raman3 Fr= 1--     220.652                220.180                 32.387
 ROA3   Fr= 1--     584.987               -368.532                561.802
 CID3   Fr= 1--       2.651                 -1.674                 17.347
 RC180  Fr= 1--      -0.422                 -0.463                 -0.866
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.02  -0.00  -0.08    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01     0.01   0.00   0.02
     9   6    -0.00   0.00  -0.00     0.00   0.05  -0.06     0.00  -0.01   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    13   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    14   1    -0.19   0.05   0.96     0.01  -0.00  -0.04     0.00   0.00  -0.02
    15   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.03
    16   1     0.04   0.01  -0.02     0.04   0.02  -0.02    -0.11  -0.05   0.07
    17   1    -0.02   0.01  -0.11    -0.03   0.01  -0.14    -0.05   0.02  -0.32
    18   1    -0.00  -0.01   0.02    -0.04  -0.39   0.87     0.00   0.02  -0.06
    19   1    -0.00   0.00   0.00     0.02  -0.14  -0.16    -0.00   0.05   0.05
    20   1     0.02  -0.00  -0.08    -0.01   0.00   0.03    -0.12   0.01   0.57
    21   1     0.03   0.01  -0.00     0.02   0.00  -0.00     0.53   0.06  -0.07
    22   1    -0.01  -0.03  -0.01    -0.00  -0.01  -0.01    -0.14  -0.42  -0.19
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3032.3421              3072.4018              3087.7679
 Red. masses --      1.0614                 1.0903                 1.1012
 Frc consts  --      5.7504                 6.0640                 6.1862
 IR Inten    --     48.5007                32.5621                 3.5992
 RamAct Fr= 1--    143.8422               152.2497                49.3429
  Dep-P Fr= 1--      0.0782                 0.2110                 0.6037
  Dep-U Fr= 1--      0.1451                 0.3485                 0.7528
 Alpha2 Fr= 1--      2.6556                 2.0078                 0.1334
 Beta2  Fr= 1--      3.4774                 8.8428                 6.1913
 AlphaG Fr= 1--      0.1835                -2.0011                 0.0663
 Gamma2 Fr= 1--     -6.1153               -13.6671               -45.6162
 Delta2 Fr= 1--     -8.9490                -8.4399               -31.5136
 Raman1 Fr= 1--     575.369                608.999                197.372
 ROA1   Fr= 1--    -873.433              -1582.119              -5387.589
 CID1   Fr= 1--      -1.518                 -2.598                -27.297
 Raman2 Fr= 1--      41.729                106.114                 74.295
 ROA2   Fr= 1--     -75.175               -260.491               -842.680
 CID2   Fr= 1--      -1.802                 -2.455                -11.342
 Raman3 Fr= 1--      83.458                212.228                148.590
 ROA3   Fr= 1--    -873.433              -1582.119              -5387.589
 CID3   Fr= 1--     -10.466                 -7.455                -36.258
 RC180  Fr= 1--      -0.710                 -0.303                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.03  -0.01  -0.05    -0.02  -0.01   0.00    -0.04  -0.02   0.05
     9   6    -0.00   0.01   0.01     0.01  -0.05  -0.07    -0.00   0.00   0.02
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    13   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.00   0.07     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    15   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.04  -0.00  -0.05
    16   1     0.27   0.12  -0.17     0.20   0.08  -0.11     0.54   0.23  -0.29
    17   1     0.14  -0.05   0.82     0.01  -0.01   0.09    -0.05   0.01  -0.25
    18   1    -0.00  -0.02   0.06    -0.01  -0.10   0.17     0.00   0.05  -0.09
    19   1     0.01  -0.13  -0.13    -0.08   0.69   0.63     0.01  -0.10  -0.09
    20   1    -0.04   0.00   0.20    -0.00  -0.00   0.02    -0.09   0.01   0.49
    21   1     0.21   0.02  -0.03    -0.00  -0.00   0.00    -0.47  -0.05   0.05
    22   1    -0.06  -0.20  -0.08    -0.00  -0.01  -0.00     0.03   0.06   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9642              3093.2323              3160.9321
 Red. masses --      1.1009                 1.1013                 1.0856
 Frc consts  --      6.1929                 6.2082                 6.3910
 IR Inten    --     54.3604                47.0453                 5.9444
 RamAct Fr= 1--    146.9639                86.4312                32.1640
  Dep-P Fr= 1--      0.5832                 0.4448                 0.6072
  Dep-U Fr= 1--      0.7367                 0.6157                 0.7556
 Alpha2 Fr= 1--      0.4588                 0.5410                 0.0847
 Beta2  Fr= 1--     18.0456                 8.8698                 4.0505
 AlphaG Fr= 1--      0.6428                -0.7219                -0.0379
 Gamma2 Fr= 1--     11.7230                46.0291                -0.3474
 Delta2 Fr= 1--      0.8269                39.1286                 0.6483
 Raman1 Fr= 1--     587.856                345.725                128.656
 ROA1   Fr= 1--    1151.864               5670.909                -12.601
 CID1   Fr= 1--       1.959                 16.403                 -0.098
 Raman2 Fr= 1--     216.548                106.437                 48.606
 ROA2   Fr= 1--     274.736                791.669                -13.524
 CID2   Fr= 1--       1.269                  7.438                 -0.278
 Raman3 Fr= 1--     433.095                212.875                 97.212
 ROA3   Fr= 1--    1151.864               5670.909                -12.601
 CID3   Fr= 1--       2.660                 26.640                 -0.130
 RC180  Fr= 1--       0.473                  0.231                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.03  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04   0.01   0.01
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.05  -0.01
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   6    -0.03  -0.01   0.03     0.03   0.01  -0.03     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.26  -0.31   0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.49  -0.08  -0.06
    12   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.23   0.62   0.08
    13   1     0.01  -0.02  -0.00     0.01  -0.02  -0.00    -0.12   0.33   0.04
    14   1     0.01  -0.00  -0.04    -0.02   0.01   0.11    -0.00   0.00   0.00
    15   6    -0.07  -0.05  -0.00     0.00  -0.04  -0.07    -0.00  -0.00  -0.00
    16   1     0.34   0.14  -0.18    -0.38  -0.16   0.20    -0.00  -0.00   0.00
    17   1    -0.03   0.01  -0.15     0.04  -0.01   0.21     0.00   0.00   0.00
    18   1     0.00   0.03  -0.05    -0.00  -0.03   0.06     0.00   0.00  -0.00
    19   1     0.01  -0.05  -0.05    -0.01   0.06   0.05     0.00   0.01   0.01
    20   1     0.00  -0.01  -0.10    -0.12  -0.01   0.57    -0.00  -0.00   0.00
    21   1     0.65   0.06  -0.09    -0.09  -0.02  -0.00     0.00   0.00  -0.00
    22   1     0.16   0.53   0.23     0.17   0.53   0.21     0.00   0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3167.0193              3178.1278              3191.0599
 Red. masses --      1.0880                 1.0920                 1.0966
 Frc consts  --      6.4296                 6.4987                 6.5791
 IR Inten    --      2.1158                28.2482                22.0176
 RamAct Fr= 1--    138.7779                60.2697               305.8272
  Dep-P Fr= 1--      0.5479                 0.7465                 0.1015
  Dep-U Fr= 1--      0.7079                 0.8549                 0.1842
 Alpha2 Fr= 1--      0.5369                 0.0035                 5.3354
 Beta2  Fr= 1--     16.3737                 8.5873                 9.3906
 AlphaG Fr= 1--      0.0289                -0.0161                 0.3267
 Gamma2 Fr= 1--      0.1616                 0.1074                 2.6345
 Delta2 Fr= 1--      0.0530                -3.0604                 2.6417
 Raman1 Fr= 1--     555.112                241.079               1223.309
 ROA1   Fr= 1--      17.211                -87.618                337.444
 CID1   Fr= 1--       0.031                 -0.363                  0.276
 Raman2 Fr= 1--     196.484                103.047                112.687
 ROA2   Fr= 1--       3.454                 27.062                 42.094
 CID2   Fr= 1--       0.018                  0.263                  0.374
 Raman3 Fr= 1--     392.968                206.095                225.374
 ROA3   Fr= 1--      17.211                -87.618                337.444
 CID3   Fr= 1--       0.044                 -0.425                  1.497
 RC180  Fr= 1--       0.416                  0.710                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.00     0.03   0.03  -0.00    -0.04  -0.05   0.00
     2   6     0.01  -0.00  -0.00    -0.05   0.01   0.01    -0.06   0.01   0.01
     3   6    -0.02   0.05   0.01    -0.01   0.03   0.00    -0.01   0.02   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.02   0.04   0.01     0.01  -0.02  -0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   1    -0.28  -0.34   0.01    -0.30  -0.35   0.01     0.42   0.50  -0.01
    11   1    -0.09   0.02   0.01     0.55  -0.09  -0.07     0.63  -0.10  -0.08
    12   1     0.20  -0.52  -0.06     0.14  -0.38  -0.05     0.08  -0.23  -0.03
    13   1    -0.23   0.65   0.07     0.18  -0.51  -0.06    -0.10   0.28   0.03
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   754.660911465.567862134.52425
           X            0.99990  -0.01400   0.00153
           Y            0.01401   0.99990  -0.00236
           Z           -0.00150   0.00238   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11477     0.05910     0.04058
 Rotational constants (GHZ):           2.39146     1.23143     0.84550
 Zero-point vibrational energy     504249.2 (Joules/Mol)
                                  120.51845 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.01   214.52   304.21   342.74   380.22
          (Kelvin)            571.91   609.32   660.34   748.09   768.79
                              853.78   894.16  1054.05  1081.05  1104.70
                             1172.50  1234.12  1268.81  1321.23  1346.69
                             1383.98  1395.29  1414.20  1492.31  1515.07
                             1586.09  1591.81  1626.48  1701.10  1704.54
                             1718.16  1752.08  1787.75  1866.12  1878.97
                             1905.96  1920.85  1955.21  1967.55  2033.12
                             2134.94  2146.11  2156.85  2157.48  2162.62
                             2180.47  2342.34  2374.84  4280.65  4331.32
                             4355.40  4362.86  4420.50  4442.61  4445.77
                             4450.47  4547.88  4556.63  4572.62  4591.22
 
 Zero-point correction=                           0.192058 (Hartree/Particle)
 Thermal correction to Energy=                    0.200364
 Thermal correction to Enthalpy=                  0.201308
 Thermal correction to Gibbs Free Energy=         0.159215
 Sum of electronic and zero-point Energies=           -388.292300
 Sum of electronic and thermal Energies=              -388.283994
 Sum of electronic and thermal Enthalpies=            -388.283050
 Sum of electronic and thermal Free Energies=         -388.325143
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.730             33.807             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.247
 Vibrational            123.953             27.846             18.798
 Vibration     1          0.605              1.944              3.334
 Vibration     2          0.618              1.904              2.684
 Vibration     3          0.643              1.823              2.031
 Vibration     4          0.656              1.782              1.816
 Vibration     5          0.671              1.738              1.633
 Vibration     6          0.764              1.475              0.972
 Vibration     7          0.786              1.419              0.880
 Vibration     8          0.817              1.341              0.769
 Vibration     9          0.875              1.206              0.610
 Vibration    10          0.889              1.174              0.578
 Vibration    11          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.583844D-73        -73.233703       -168.626833
 Total V=0       0.127920D+16         15.106939         34.785013
 Vib (Bot)       0.177887D-86        -86.749856       -199.748926
 Vib (Bot)    1  0.192730D+01          0.284950          0.656122
 Vib (Bot)    2  0.136029D+01          0.133631          0.307697
 Vib (Bot)    3  0.938816D+00         -0.027420         -0.063136
 Vib (Bot)    4  0.823777D+00         -0.084190         -0.193855
 Vib (Bot)    5  0.733437D+00         -0.134637         -0.310013
 Vib (Bot)    6  0.449216D+00         -0.347545         -0.800251
 Vib (Bot)    7  0.413505D+00         -0.383520         -0.883086
 Vib (Bot)    8  0.370916D+00         -0.430725         -0.991781
 Vib (Bot)    9  0.310454D+00         -0.508003         -1.169720
 Vib (Bot)   10  0.298092D+00         -0.525649         -1.210352
 Vib (Bot)   11  0.253337D+00         -0.596301         -1.373035
 Vib (V=0)       0.389750D+02          1.590786          3.662920
 Vib (V=0)    1  0.249110D+01          0.396392          0.912726
 Vib (V=0)    2  0.194927D+01          0.289872          0.667455
 Vib (V=0)    3  0.156366D+01          0.194143          0.447030
 Vib (V=0)    4  0.146364D+01          0.165435          0.380929
 Vib (V=0)    5  0.138765D+01          0.142281          0.327615
 Vib (V=0)    6  0.117216D+01          0.068986          0.158846
 Vib (V=0)    7  0.114883D+01          0.060257          0.138748
 Vib (V=0)    8  0.112256D+01          0.050209          0.115610
 Vib (V=0)    9  0.108854D+01          0.036845          0.084839
 Vib (V=0)   10  0.108212D+01          0.034274          0.078918
 Vib (V=0)   11  0.106052D+01          0.025518          0.058757
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.550016D+06          5.740375         13.217702
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333333332                                                   11111111111111111111 11111                                         
   111100000009                                                   66555444433333222111 111009999988 8777    65 55 4 43    222  11    
   976699873217                                                   52100998165320941988 300538763185 1653    29 32 5 29    631  40    
   187130822705                                                   18530924389556738452 062373026828 5813    13 40 9 37    481  96    
 
   XXXXXXXXXXXX                                                   XXXXXXXXXXXXXXXX XXX XXXXXXX XXXX XXXX    XX XX X XX    X X  X     
   XX XXX XXXXX                                                     XX  X  XX                        XX           X                  
   XX  XX XXXXX                                                     XX                               XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XXXXX                                                     X                                XX                              
   XX  XX XX XX                                                     X                                XX                              
   XX  XX XX XX                                                                                      XX                              
   XX  XX XX XX                                                                                      X                               
    X  XX XX X                                                                                       X                               
    X  XX XX X                                                                                       X                               
       XX XX X                                                                                       X                               
       XX XX                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                         X                               
       XX  X                                                                                                                         
       XX  X                                                                                                                         
       XX  X                                                                                                                         
        X  X                                                                                                                         
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002085   -0.000006530    0.000001263
      2        6           0.000006560   -0.000001017   -0.000006946
      3        6           0.000000078   -0.000004377    0.000003077
      4        6           0.000002773    0.000008929    0.000000518
      5        6          -0.000015820    0.000013508    0.000003209
      6        6          -0.000001967    0.000001316   -0.000001321
      7        6           0.000009431   -0.000006724    0.000002191
      8        6           0.000000702    0.000001906    0.000003993
      9        6          -0.000001293   -0.000007184   -0.000000782
     10        1          -0.000000442   -0.000000205    0.000000005
     11        1           0.000000225   -0.000000429    0.000000023
     12        1           0.000000010    0.000000447   -0.000000414
     13        1           0.000001297   -0.000000295   -0.000001106
     14        1           0.000000957   -0.000000083   -0.000000071
     15        6          -0.000003738   -0.000000406    0.000000295
     16        1          -0.000000323    0.000001379   -0.000000358
     17        1          -0.000000835    0.000000397   -0.000003222
     18        1           0.000001117   -0.000000020   -0.000000430
     19        1          -0.000001342   -0.000000500   -0.000001205
     20        1           0.000001368   -0.000001377    0.000000185
     21        1           0.000000210    0.000000992    0.000000039
     22        1           0.000003118    0.000000275    0.000001056
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000015820 RMS     0.000003841
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149214D+03  0.192558D+01 -0.345609D+01
      2   0.192558D+01  0.130607D+03  0.143883D+01
      3  -0.345609D+01  0.143883D+01  0.824364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.498885D+00  0.119264D+01  0.231551D+01
      2   0.107900D+02 -0.598713D+01  0.131795D+02
      3   0.492441D+00  0.329838D+02  0.544252D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.753944D+02 -0.162504D+02  0.144034D+02
      2   0.399131D+02  0.239668D+01 -0.145240D+02
      3   0.354813D+02  0.138537D+02  0.120586D+00
      4  -0.289991D+02 -0.316738D+02 -0.109174D+02
      5   0.159481D+02 -0.141467D+02  0.334628D+02
      6  -0.750068D+01 -0.932861D+00 -0.758754D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364527D+00 -0.121432D+01 -0.737619D+00 -0.535446D+01 -0.828121D-01
      2  -0.121432D+01 -0.253778D+01 -0.668051D+00 -0.828121D-01 -0.232702D+01
      3  -0.737619D+00 -0.668051D+00 -0.144827D+01  0.587742D+00  0.483877D+00
                 6             7             8             9            10 
      1   0.587742D+00 -0.130195D+01 -0.859503D-01 -0.363174D+01 -0.513883D+01
      2   0.483877D+00 -0.859503D-01  0.490184D+00 -0.392451D+01  0.868439D+00
      3  -0.266008D+01 -0.363174D+01 -0.392451D+01 -0.504089D-01 -0.559193D+00
                11            12            13            14            15 
      1   0.868439D+00 -0.559193D+00  0.158358D+01  0.240492D+01  0.344415D+00
      2  -0.261486D+01 -0.221583D-01  0.240492D+01  0.239980D+01 -0.381723D+00
      3  -0.221583D-01 -0.267146D+01  0.344415D+00 -0.381723D+00  0.884820D+00
                16            17            18            19            20 
      1  -0.709950D+00  0.610226D+00 -0.545597D+01  0.101553D+01 -0.313391D+01
      2   0.610226D+00  0.266890D+00  0.744968D+00 -0.313391D+01 -0.363473D+01
      3  -0.545597D+01  0.744968D+00  0.138991D+01 -0.257722D+00  0.530853D+00
                21            22            23            24            25 
      1  -0.257722D+00  0.529593D+01 -0.451511D+00 -0.133992D+00  0.262556D+00
      2   0.530853D+00 -0.451511D+00  0.388324D+00 -0.466418D+00  0.927477D+00
      3  -0.366938D+00 -0.133992D+00 -0.466418D+00  0.226036D+01 -0.238714D+01
                26            27            28            29            30 
      1   0.927477D+00 -0.238714D+01  0.119964D+01  0.316045D+01 -0.316174D+00
      2  -0.488547D+00  0.355237D+01  0.316045D+01  0.729686D+01 -0.150310D+00
      3   0.355237D+01  0.138491D+01 -0.316174D+00 -0.150310D+00  0.168804D+01
                31            32            33            34            35 
      1   0.121176D+02  0.459017D+01 -0.944543D+00  0.163539D+01 -0.356586D+00
      2   0.459017D+01  0.688271D+01 -0.521255D+00 -0.356586D+00 -0.406517D+00
      3  -0.944543D+00 -0.521255D+00  0.140868D+01  0.156867D+01  0.301618D+01
                36            37            38            39            40 
      1   0.156867D+01  0.161875D+02 -0.178791D+01 -0.200912D+01 -0.587960D+01
      2   0.301618D+01 -0.178791D+01  0.374591D+01  0.817363D-01 -0.316218D+01
      3   0.497451D-01 -0.200912D+01  0.817363D-01  0.210732D+01 -0.103844D+00
                41            42            43            44            45 
      1  -0.316218D+01 -0.103844D+00 -0.161979D+01 -0.436575D+00  0.324999D+01
      2  -0.576726D+00  0.515287D+00 -0.436575D+00  0.428739D+00 -0.856244D+00
      3   0.515287D+00  0.259448D+00  0.324999D+01 -0.856244D+00 -0.129343D+01
                46            47            48            49            50 
      1  -0.173384D+01  0.340823D+01  0.346833D+00 -0.575773D+01  0.579543D+00
      2   0.340823D+01  0.226293D+01 -0.391580D+00  0.579543D+00 -0.186066D+01
      3   0.346833D+00 -0.391580D+00  0.991096D+00  0.209811D+00  0.425001D+00
                51            52            53            54            55 
      1   0.209811D+00  0.913692D-01 -0.494860D+00  0.407662D+00 -0.476828D+01
      2   0.425001D+00 -0.494860D+00  0.750001D-01 -0.404143D+01  0.238230D+01
      3  -0.206221D+01  0.407662D+00 -0.404143D+01 -0.115395D+01  0.129807D+01
                56            57            58            59            60 
      1   0.238230D+01  0.129807D+01  0.283740D+01 -0.303713D+01  0.230820D+00
      2  -0.209252D+01  0.198947D+00 -0.303713D+01 -0.206063D+01 -0.131230D+01
      3   0.198947D+00 -0.206260D+01  0.230820D+00 -0.131230D+01  0.690929D+00
                61            62            63            64            65 
      1   0.379928D+01  0.959337D-01 -0.318275D+01 -0.446689D+01 -0.355348D+01
      2   0.959337D-01 -0.183166D+01  0.272962D+00 -0.355348D+01  0.937697D+00
      3  -0.318275D+01  0.272962D+00  0.878780D+01  0.200802D+01  0.687804D+00
                66            67            68            69            70 
      1   0.200802D+01 -0.352922D+01  0.502222D+00  0.865392D+00  0.332359D+01
      2   0.687804D+00  0.502222D+00  0.239371D+01  0.120020D+01  0.160756D+01
      3  -0.156322D+01  0.865392D+00  0.120020D+01  0.377243D+00 -0.256460D+01
                71            72            73            74            75 
      1   0.160756D+01 -0.256460D+01 -0.226783D+01  0.397092D+00 -0.467446D-01
      2   0.138159D+01  0.930868D-01  0.397092D+00 -0.243633D+01  0.888076D+00
      3   0.930868D-01 -0.626121D+01 -0.467446D-01  0.888076D+00 -0.121751D+00
                76            77            78            79            80 
      1  -0.427968D+00 -0.406322D+01  0.924942D+00  0.724871D+00  0.185801D+01
      2  -0.406322D+01 -0.839967D+01 -0.415013D+00  0.185801D+01  0.163378D+00
      3   0.924942D+00 -0.415013D+00 -0.363656D+01 -0.142598D+01 -0.596221D+01
                81            82            83            84            85 
      1  -0.142598D+01 -0.572946D+01 -0.423327D+01  0.188942D+00 -0.417989D+01
      2  -0.596221D+01 -0.423327D+01 -0.375100D+01  0.180239D+00 -0.474868D+01
      3   0.344391D+01  0.188942D+00  0.180239D+00 -0.633228D+00 -0.506935D-01
                86            87            88            89            90 
      1  -0.474868D+01 -0.506935D-01  0.358384D+00  0.171109D+00  0.492279D-01
      2  -0.669845D+01  0.317514D-03  0.171109D+00 -0.183927D-01  0.449082D-01
      3   0.317514D-03 -0.749517D+00  0.492279D-01  0.449082D-01 -0.307571D-03
                91            92            93            94            95 
      1  -0.134049D+02  0.135008D+01  0.140035D+01  0.151503D+01 -0.177222D+01
      2   0.135008D+01 -0.958263D+00 -0.143546D+00 -0.177222D+01  0.545195D+00
      3   0.140035D+01 -0.143546D+00 -0.113031D+01 -0.290600D+00  0.201830D+00
                96            97            98            99           100 
      1  -0.290600D+00  0.171854D+01 -0.310507D+00 -0.988611D-01 -0.223965D+01
      2   0.201830D+00 -0.310507D+00  0.192827D+00  0.414755D-01  0.242987D+01
      3   0.199384D+00 -0.988611D-01  0.414755D-01  0.133062D+00  0.349087D+00
               101           102           103           104           105 
      1   0.242987D+01  0.349087D+00  0.250372D+01 -0.375974D+01 -0.388178D+00
      2  -0.273297D+01 -0.387415D+00 -0.375974D+01  0.924503D+01  0.949952D+00
      3  -0.387415D+00 -0.470240D+00 -0.388178D+00  0.949952D+00  0.103270D+01
               106           107           108           109           110 
      1   0.369367D+00 -0.533117D+00 -0.139566D+00  0.134361D+01 -0.163708D+01
      2  -0.533117D+00  0.113917D+01  0.226854D+00 -0.163708D+01  0.200142D+01
      3  -0.139566D+00  0.226854D+00  0.104341D+00 -0.131813D+00  0.311618D+00
               111           112           113           114           115 
      1  -0.131813D+00 -0.144956D+01  0.171714D+01  0.127717D+00 -0.220930D+00
      2   0.311618D+00  0.171714D+01 -0.942854D+01 -0.955366D+00  0.250199D+00
      3   0.206790D+00  0.127717D+00 -0.955366D+00 -0.984769D+00 -0.417963D-01
               116           117           118           119           120 
      1   0.250199D+00 -0.417963D-01  0.276061D+01 -0.616438D+00 -0.194009D+01
      2  -0.931845D+00 -0.135636D+00 -0.616438D+00  0.746441D+00  0.904169D-01
      3  -0.135636D+00 -0.178988D+00 -0.194009D+01  0.904169D-01  0.184950D+01
               121           122           123           124           125 
      1  -0.103997D+01  0.155850D+01  0.928976D-01 -0.572351D+01  0.568132D+00
      2   0.155850D+01 -0.399084D+00 -0.945597D+00  0.568132D+00 -0.137456D+01
      3   0.928976D-01 -0.945597D+00 -0.332447D+00  0.383306D+01 -0.681762D+00
               126           127           128           129           130 
      1   0.383306D+01 -0.766012D+01 -0.673056D+00  0.132331D+01 -0.363826D+01
      2  -0.681762D+00 -0.673056D+00  0.279587D+01 -0.269741D+00  0.291102D+01
      3  -0.925801D+01  0.132331D+01 -0.269741D+00  0.156858D+01 -0.358365D+00
               131           132           133           134           135 
      1   0.291102D+01 -0.358365D+00  0.185538D+01 -0.971610D+00  0.889119D+00
      2   0.305502D+01  0.257452D+01 -0.971610D+00  0.291001D+01  0.895023D+00
      3   0.257452D+01  0.207688D+00  0.889119D+00  0.895023D+00 -0.650001D+01
               136           137           138           139           140 
      1   0.919804D+01  0.324332D+01 -0.171559D+01  0.287293D+01  0.212244D+01
      2   0.324332D+01  0.208285D+01 -0.617568D+00  0.212244D+01  0.169702D+01
      3  -0.171559D+01 -0.617568D+00  0.141531D+01 -0.587017D+00 -0.735211D+00
               141           142           143           144           145 
      1  -0.587017D+00 -0.397579D+01 -0.136610D+01  0.207983D+01  0.157975D+01
      2  -0.735211D+00 -0.136610D+01 -0.136358D+01  0.824078D+00  0.543242D+00
      3   0.517570D+00  0.207983D+01  0.824078D+00 -0.739531D+00  0.126549D+01
               146           147           148           149           150 
      1   0.543242D+00  0.126549D+01  0.928800D-01  0.491764D+00 -0.210821D+00
      2   0.340069D-01  0.147635D+00  0.491764D+00 -0.165953D+00  0.659881D+00
      3   0.147635D+00  0.897787D+00 -0.210821D+00  0.659881D+00 -0.446189D+00
               151           152           153           154           155 
      1   0.240105D+01  0.591261D-01  0.297227D+01  0.108310D+01  0.809496D+00
      2   0.591261D-01  0.159442D+01  0.658751D+00  0.809496D+00  0.244549D+00
      3   0.297227D+01  0.658751D+00  0.728250D+01 -0.951643D+00 -0.339264D+00
               156           157           158           159           160 
      1  -0.951643D+00  0.100042D+01  0.176021D+01 -0.612544D+00 -0.297819D+01
      2  -0.339264D+00  0.176021D+01  0.554549D+01 -0.256498D+01 -0.209582D+01
      3   0.371980D+00 -0.612544D+00 -0.256498D+01  0.231563D+01  0.145620D+01
               161           162           163           164           165 
      1  -0.209582D+01  0.145620D+01 -0.286841D+00  0.638451D+00  0.673997D+00
      2  -0.541362D+01  0.488882D+01  0.638451D+00 -0.877270D+00 -0.204654D+00
      3   0.488882D+01 -0.621927D+01  0.673997D+00 -0.204654D+00 -0.166031D+00
               166           167           168           169           170 
      1   0.151644D+01  0.133851D+01  0.190004D+00  0.108158D+01  0.315757D+00
      2   0.133851D+01  0.885519D+01  0.257755D+01  0.315757D+00  0.477664D+01
      3   0.190004D+00  0.257755D+01  0.208702D+01  0.559088D+00  0.343118D+01
               171           172           173           174           175 
      1   0.559088D+00  0.122991D+00  0.916488D-01  0.530294D+00  0.684922D+00
      2   0.343118D+01  0.916488D-01 -0.747553D+00  0.255407D+00 -0.240428D+00
      3   0.198157D+01  0.530294D+00  0.255407D+00 -0.120480D+01  0.125708D+00
               176           177           178           179           180 
      1  -0.240428D+00  0.125708D+00  0.172766D+01 -0.619408D+00  0.756612D+00
      2  -0.547512D+00  0.558075D+00 -0.619408D+00  0.171450D+01 -0.141985D+01
      3   0.558075D+00  0.214470D-02  0.756612D+00 -0.141985D+01  0.752366D+01
               181           182           183           184           185 
      1   0.126575D+02 -0.198980D+01 -0.264918D+00  0.775449D+00  0.776363D+00
      2  -0.198980D+01  0.159261D+01 -0.907077D-01  0.776363D+00 -0.429820D+00
      3  -0.264918D+00 -0.907077D-01  0.120567D+01  0.835378D-01 -0.332801D+00
               186           187           188           189           190 
      1   0.835378D-01 -0.160301D+01  0.335772D+00  0.114213D+01  0.183835D+00
      2  -0.332801D+00  0.335772D+00 -0.746839D+00 -0.282328D+00 -0.483368D+00
      3   0.138941D+00  0.114213D+01 -0.282328D+00  0.125603D+00 -0.453758D+00
               191           192           193           194           195 
      1  -0.483368D+00 -0.453758D+00 -0.153968D+01  0.565112D+00 -0.102389D+00
      2  -0.135787D+01 -0.877364D-01  0.565112D+00 -0.811342D+01 -0.151582D+01
      3  -0.877364D-01 -0.463223D+00 -0.102389D+00 -0.151582D+01 -0.151077D+01
               196           197           198 
      1  -0.121590D+01  0.471232D+00 -0.354549D-01
      2   0.471232D+00 -0.255778D+01 -0.138669D+01
      3  -0.354549D-01 -0.138669D+01 -0.551890D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139744D+01 -0.166499D+00 -0.421455D+01  0.117952D+01  0.339699D-01
      2   0.755520D+00  0.104875D+01  0.289224D+01 -0.437283D+00 -0.617703D+00
      3  -0.699020D+01 -0.113890D+02 -0.222434D+00  0.824905D+01 -0.344700D+01
                 6             7             8             9            10 
      1  -0.155523D+01 -0.837514D+01  0.328607D+01  0.127144D+01  0.576750D+00
      2   0.688418D+01 -0.233270D+01  0.120417D+02  0.141822D+01  0.184199D+00
      3   0.126287D+00  0.130569D+01  0.204346D+01 -0.569297D+01  0.418051D+01
                11            12            13            14            15 
      1   0.531071D+00  0.737667D+00  0.120262D+01 -0.122893D+01  0.262030D+01
      2  -0.275149D+00  0.836771D+01 -0.218415D+01 -0.281869D+00 -0.147132D+01
      3  -0.877982D+01 -0.121803D+00  0.117514D+02  0.445218D+01 -0.166635D+01
                16            17            18            19            20 
      1   0.234062D+01  0.121752D+02  0.103365D+01  0.108744D+01 -0.799026D+00
      2   0.892010D+01 -0.342760D+01 -0.307215D+01  0.669279D+00 -0.493726D-01
      3   0.105675D+01 -0.342119D+00  0.244596D+01 -0.281213D+01 -0.158103D+02
                21            22            23            24            25 
      1  -0.391429D+00 -0.112985D+01  0.446515D+00 -0.265436D+01  0.404768D+01
      2  -0.935528D+00  0.113789D+01  0.163637D+01 -0.625618D+01 -0.921864D+01
      3  -0.736544D+00 -0.531554D+00  0.761162D+00 -0.349882D+00  0.630335D+00
                26            27            28            29            30 
      1   0.241921D+01 -0.126703D+00 -0.180898D+01  0.178933D+01 -0.954373D+00
      2  -0.103297D+02 -0.935071D+00 -0.343674D+01 -0.147076D+01 -0.103657D+01
      3   0.110468D+01  0.565534D+01 -0.378769D+01  0.635365D+01  0.172085D+01
                31            32            33            34            35 
      1   0.187348D+01  0.571933D+00 -0.966862D+00 -0.258088D+01  0.650174D+01
      2   0.201312D+01 -0.203675D+01 -0.145960D+01 -0.152974D+02 -0.121506D+01
      3   0.100992D+02  0.233173D+02 -0.128693D+01  0.320074D+01 -0.173226D+01
                36            37            38            39            40 
      1   0.370372D+00  0.610828D+00  0.188063D+01  0.141423D+01  0.241228D+01
      2   0.149660D+01 -0.146890D+01 -0.129123D+01 -0.743591D+00 -0.113315D+01
      3   0.346983D+01 -0.940772D+01  0.123899D+02  0.156962D+01  0.108669D+02
                41            42            43            44            45 
      1  -0.110946D+00 -0.554496D+00  0.368828D+01  0.104571D+02 -0.319603D+00
      2   0.265415D+00  0.666523D+00 -0.131139D+02  0.404094D+00  0.149592D+01
      3  -0.703570D+01 -0.152733D+01 -0.470477D+00 -0.594434D+01 -0.252733D+01
                46            47            48            49            50 
      1   0.651814D+00 -0.642162D+00  0.394750D+01 -0.476768D+00 -0.995977D+00
      2  -0.291484D+01  0.207980D+01 -0.232951D+01 -0.329102D-01  0.794775D+00
      3   0.103459D+02 -0.381683D+01 -0.248453D+01  0.691377D+01 -0.715140D+01
                51            52            53            54            55 
      1  -0.315849D+01  0.444964D+01  0.777121D+00 -0.161368D+01 -0.123551D+01
      2   0.196389D+01 -0.145012D+02  0.185283D+01  0.192647D+01 -0.231082D+00
      3   0.454826D-01 -0.441174D+01  0.116604D+01 -0.539030D+01 -0.157823D+01
                56            57            58            59            60 
      1   0.185251D+01 -0.127116D+01  0.265750D+01 -0.107536D+01 -0.133260D+01
      2   0.951503D+00 -0.666302D+00  0.129640D+01 -0.504541D+01  0.884830D+00
      3  -0.395815D+01 -0.116687D+01  0.109180D+02  0.718761D+01  0.383084D+01
                61            62            63            64            65 
      1  -0.306173D+01  0.592882D+01  0.316779D+01 -0.321372D+01 -0.126094D+01
      2  -0.947933D+01  0.497111D+00  0.131284D+02  0.707521D+01  0.344042D+01
      3  -0.384538D+01  0.686482D+01  0.201442D+01  0.773736D+01 -0.116794D+02
                66            67            68            69            70 
      1   0.178851D+01 -0.172065D+01 -0.337500D+01 -0.224787D+01  0.399719D+01
      2  -0.212704D+01  0.412897D+01  0.300850D+01  0.345606D+00 -0.119748D+02
      3   0.143506D+01 -0.730708D+01 -0.477767D+01 -0.285127D+01  0.853604D+00
                71            72            73            74            75 
      1   0.176867D+01  0.571348D+01  0.542062D+00 -0.263688D+01 -0.273935D+00
      2  -0.145621D+01 -0.126853D+02 -0.108195D+01  0.101291D+01  0.183003D+01
      3  -0.398552D+01 -0.314615D+01 -0.673838D+01 -0.248046D+00 -0.121364D+01
                76            77            78            79            80 
      1  -0.579244D+00  0.501963D+01  0.686406D+01  0.551874D+01  0.216281D+02
      2   0.131269D+00  0.528059D+00 -0.208432D+01 -0.519054D+01 -0.528055D+01
      3   0.120493D+02 -0.686494D+01  0.352241D+01 -0.564560D+00  0.784829D+01
                81            82            83            84            85 
      1  -0.635726D+01  0.317717D+00  0.386237D+00 -0.257850D+01 -0.156195D+00
      2   0.256319D+01 -0.687812D+00 -0.729616D+00  0.331483D+01  0.109224D-01
      3   0.145192D+01 -0.130621D+01 -0.510276D+01  0.306950D+00 -0.330480D+01
                86            87            88            89            90 
      1  -0.413354D-01 -0.344707D+01  0.121969D+01  0.170372D+01  0.458842D-01
      2  -0.197568D+00  0.339641D+01 -0.136188D+01 -0.117874D+01 -0.815809D-01
      3  -0.108418D+02  0.136535D+00 -0.367075D+00 -0.724602D+00  0.286745D+00
                91            92            93            94            95 
      1   0.532732D-01 -0.463636D+00  0.670944D+00 -0.192104D+00  0.132549D+00
      2  -0.200539D+01  0.218272D+00  0.676790D+01  0.710172D+00 -0.442259D+00
      3   0.234914D+01 -0.576811D+01 -0.292342D+00 -0.405137D+01  0.185782D+01
                96            97            98            99           100 
      1  -0.465184D+00 -0.510827D+00  0.434710D+00 -0.717749D-01 -0.664602D-01
      2  -0.104878D+01 -0.275893D+01  0.467456D+00 -0.554952D+00 -0.413151D+00
      3   0.565051D+00 -0.474471D+00  0.695453D+00 -0.144667D+00  0.100487D+01
               101           102           103           104           105 
      1   0.158728D+00  0.165945D+01  0.533070D-01  0.447071D+00 -0.457135D+01
      2   0.621746D+00  0.150827D+01  0.327007D+00 -0.174797D+01 -0.299624D+01
      3  -0.307945D+01 -0.396714D+00 -0.672357D+00  0.150024D+02  0.151482D+01
               106           107           108           109           110 
      1  -0.415045D+00  0.176081D+01 -0.416717D+00  0.266514D+00 -0.173695D-01
      2  -0.981847D+00  0.500366D+00 -0.254091D+00  0.620109D+00 -0.646618D+00
      3  -0.220719D+00  0.134677D+01 -0.164996D+00 -0.686568D+01  0.525912D+01
               111           112           113           114           115 
      1   0.132774D+01 -0.333783D+00  0.659370D+00 -0.456388D+01 -0.508761D+00
      2   0.187855D+00 -0.916981D+00  0.965057D+00 -0.206271D+00 -0.118171D+01
      3   0.440743D+00  0.868082D+01 -0.121425D+02 -0.115580D+01  0.963708D+00
               116           117           118           119           120 
      1   0.203097D+01 -0.274475D+00 -0.647731D+00 -0.148990D+01  0.856911D+00
      2   0.329463D+00 -0.151520D+00 -0.117311D+01 -0.742947D-01  0.360388D+01
      3  -0.183111D+01  0.450281D-01 -0.849201D+00 -0.361171D+01  0.115672D+01
               121           122           123           124           125 
      1  -0.136640D+01 -0.611180D+00 -0.111283D+01  0.838884D+00  0.285850D+01
      2   0.279256D+00  0.211730D-01 -0.960174D+00  0.139733D+01 -0.472064D+00
      3  -0.232304D+01 -0.885726D+00  0.196146D+01  0.184668D+01  0.265914D+01
               126           127           128           129           130 
      1  -0.345087D+01  0.259286D+01  0.971163D-01  0.298560D+01 -0.202533D+01
      2  -0.143676D+02  0.798631D+01 -0.187735D+01  0.574099D+01 -0.235737D+01
      3  -0.291631D+00  0.199446D+02 -0.116466D+02 -0.178331D+01 -0.167730D+01
               131           132           133           134           135 
      1   0.906180D+01  0.758355D-01 -0.755422D-01  0.461504D+01 -0.104861D+02
      2   0.652653D+01  0.727610D+00 -0.731134D+00  0.320053D+01 -0.165565D+02
      3  -0.174971D+02 -0.757154D+01 -0.117325D+01 -0.713734D+01 -0.465647D+01
               136           137           138           139           140 
      1   0.227551D+01  0.542130D+00 -0.261125D+01  0.699340D+00  0.724841D+00
      2  -0.470297D+01 -0.183976D+01  0.615972D+01 -0.172511D+01 -0.183843D+01
      3   0.472690D+01 -0.440181D+01 -0.920900D+00  0.813389D+00 -0.219409D+01
               141           142           143           144           145 
      1  -0.155994D+01 -0.258040D+01  0.239684D+00  0.116943D+01 -0.101261D+01
      2   0.199847D+01  0.380927D+01  0.179062D+01 -0.259996D+01  0.165933D+01
      3   0.120395D+01 -0.225613D+01  0.319421D+01  0.770986D+00 -0.264213D+00
               146           147           148           149           150 
      1   0.202189D+00 -0.133439D+01  0.270486D+00 -0.141560D+01 -0.395236D+00
      2  -0.323991D+00  0.313333D+01 -0.838705D+00  0.107190D+01 -0.851422D+00
      3  -0.365881D+00  0.131889D+01  0.183281D+01  0.242760D+01 -0.153917D+01
               151           152           153           154           155 
      1  -0.360392D+01  0.282555D+01 -0.841915D+01  0.194175D+01  0.249395D+00
      2   0.286215D+01  0.156452D+01  0.162240D+02  0.454774D+00 -0.267942D+00
      3   0.388658D+01 -0.584185D+01  0.198816D+01  0.396254D+01  0.132864D+00
               156           157           158           159           160 
      1  -0.809658D+00  0.132624D+01  0.350167D+01 -0.670132D+01 -0.325488D+01
      2   0.127813D+01  0.461126D-01 -0.182778D+01  0.193777D+01 -0.727362D+00
      3  -0.208032D+01  0.179930D+01 -0.613927D+00  0.656932D+00 -0.660365D+01
               161           162           163           164           165 
      1  -0.837873D+01  0.139727D+02 -0.106190D+01  0.656050D+00  0.508828D+00
      2   0.365163D+01 -0.489003D+01  0.201696D+00 -0.299049D+00  0.722664D+00
      3  -0.162272D+00 -0.864418D+00 -0.109712D+01 -0.554671D+00  0.158423D+01
               166           167           168           169           170 
      1  -0.154702D+01 -0.749958D+01 -0.764418D+01 -0.157985D+01 -0.755105D+01
      2  -0.391260D+00  0.205938D+01  0.157333D+01 -0.760978D+00  0.223922D+01
      3   0.500541D+01 -0.456740D+01 -0.215130D+01  0.451857D+01 -0.398749D+01
               171           172           173           174           175 
      1  -0.641040D+01  0.682026D+00 -0.613715D+00 -0.188263D+01 -0.137497D+00
      2   0.129550D+01  0.204468D+01  0.514212D+00 -0.236765D+01  0.178283D+00
      3  -0.205236D+01 -0.110779D+00  0.151225D+01 -0.144302D+01  0.121901D+01
               176           177           178           179           180 
      1   0.105286D+01 -0.128493D+01  0.519414D+00  0.149445D+01  0.134204D+02
      2   0.127996D+01 -0.315209D+00 -0.243906D+01 -0.312321D+01  0.191452D+02
      3   0.150086D+01 -0.130277D+01 -0.181037D+01 -0.396171D+01  0.354276D+01
               181           182           183           184           185 
      1  -0.162795D+00  0.213016D+00  0.224464D+01  0.194617D+00 -0.635665D+00
      2  -0.403119D+01 -0.468336D-01  0.654063D+01  0.215235D+00 -0.947418D+00
      3  -0.173724D+02 -0.510038D+01  0.973995D+00 -0.143204D+01 -0.159879D+00
               186           187           188           189           190 
      1  -0.474742D+00  0.128472D+01  0.376789D+00  0.237295D+00 -0.991403D+00
      2   0.576906D+00  0.179829D+01 -0.373761D+00  0.298194D+00 -0.123213D+01
      3   0.110428D+01  0.151629D+01  0.196084D+01 -0.809629D+00  0.396526D+01
               191           192           193           194           195 
      1  -0.468264D+00 -0.182015D+01 -0.476420D+00 -0.538202D+01 -0.608818D+01
      2   0.237300D-01 -0.623433D+00 -0.457717D+00 -0.317397D+01 -0.330600D+01
      3   0.436219D+01  0.163603D+01  0.570790D+01  0.226348D+02  0.500596D+01
               196           197           198 
      1  -0.394958D+00 -0.204941D+01 -0.173636D+01
      2  -0.134244D+01 -0.264516D+01 -0.111455D+01
      3   0.241888D+01  0.676691D+01  0.406978D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843114D+00 -0.229721D+02 -0.149299D+01  0.274791D+02  0.598072D+01
      2  -0.468568D+01  0.163048D+02 -0.588153D+00 -0.284520D+02 -0.115375D+02
      3   0.384256D+01  0.666727D+01  0.208114D+01  0.972943D+00  0.555682D+01
      4  -0.199492D+02  0.576005D+01  0.524744D+01  0.641220D+01 -0.140631D+02
      5   0.177969D+01  0.576595D+01  0.704788D+01 -0.382893D+00 -0.299282D+01
      6   0.510274D+01  0.225474D+01  0.938578D+01 -0.327224D+01  0.594746D+00
                 6             7             8             9            10 
      1   0.519368D+00  0.644242D+01  0.631034D+01  0.193044D+01 -0.984076D+01
      2   0.929966D+00 -0.468126D+01 -0.542575D+01 -0.829381D+01  0.485369D+01
      3  -0.144933D+01 -0.176116D+01 -0.884584D+00  0.636337D+01  0.498707D+01
      4  -0.395852D+01  0.459373D+01 -0.235878D+01  0.169754D+02  0.464906D+01
      5   0.149625D+02  0.241565D+02  0.187714D+02  0.249694D+01  0.995768D+01
      6   0.490959D+01  0.107644D+02  0.160795D+02 -0.205093D+01 -0.794734D+00
                11            12            13            14            15 
      1   0.279943D+01  0.691112D+01 -0.124201D+02 -0.239157D+02 -0.233783D+01
      2  -0.701082D+00 -0.375499D+01  0.109917D+02  0.248835D+02  0.369605D+01
      3  -0.209835D+01 -0.315613D+01  0.142840D+01 -0.967818D+00 -0.135822D+01
      4   0.233692D+02 -0.916775D+00 -0.268584D+02  0.780929D+01  0.321906D+01
      5  -0.149398D+01  0.181287D+02 -0.559821D+01  0.254460D+01 -0.346323D+01
      6  -0.107570D+01 -0.185944D+01  0.289541D+01 -0.894947D+00 -0.630508D+01
                16            17            18            19            20 
      1   0.105557D+02 -0.391662D+01  0.152534D+02  0.135193D+02  0.196868D+02
      2  -0.368757D+01  0.263868D+01 -0.209649D+02 -0.124136D+02 -0.136735D+02
      3  -0.686813D+01  0.127794D+01  0.571157D+01 -0.110572D+01 -0.601336D+01
      4  -0.635746D+01 -0.956237D+00 -0.232065D+01  0.109625D+02 -0.125538D+02
      5   0.374031D+02 -0.400411D+01 -0.644236D+01  0.121104D+01 -0.395881D+01
      6  -0.295276D+00  0.496504D+01 -0.152845D+01 -0.226974D+01  0.507809D+01
                21            22            23            24            25 
      1  -0.849152D+00 -0.217573D+02  0.130723D+02  0.129857D+01  0.714433D-02
      2   0.373082D+00  0.211522D+02 -0.216964D+02 -0.405295D+01  0.199549D+01
      3   0.476070D+00  0.605152D+00  0.862414D+01  0.275438D+01 -0.200263D+01
      4  -0.351156D+01  0.900449D+01  0.417447D+01  0.226488D+01 -0.413519D+01
      5  -0.322563D+01 -0.727951D+00  0.269912D+01 -0.122748D+02  0.119698D+02
      6  -0.338768D+00  0.162430D+01 -0.504421D+01  0.663291D+01 -0.750959D+01
                26            27            28            29            30 
      1  -0.191050D+01 -0.411543D+01 -0.961528D+01 -0.260523D+02 -0.816194D+00
      2  -0.285810D+01 -0.585351D+01  0.868628D+01  0.193009D+02 -0.159357D+01
      3   0.476860D+01  0.996894D+01  0.929001D+00  0.675142D+01  0.240976D+01
      4   0.617301D+01 -0.162347D+02 -0.829253D+01 -0.779376D+01 -0.537549D+00
      5  -0.158683D+02 -0.192127D+01 -0.153486D+01 -0.177686D-01 -0.111917D+01
      6   0.133128D+02  0.220194D+01 -0.666558D+00 -0.368062D+01  0.229341D+01
                31            32            33            34            35 
      1  -0.134632D+02 -0.105309D+02 -0.791711D+00  0.197660D+01  0.697995D+00
      2   0.263089D+01  0.105013D+02  0.225019D+00 -0.276666D+01 -0.710982D+00
      3   0.108323D+02  0.296268D-01  0.566693D+00  0.790056D+00  0.129869D-01
      4   0.692269D+01 -0.839874D+01 -0.206189D+01 -0.102881D+01  0.177404D+01
      5  -0.270284D+01 -0.198005D+01 -0.966829D+00  0.127670D+01 -0.321446D+01
      6  -0.734970D+01 -0.174410D+01  0.264513D+01  0.247011D+01  0.105113D+02
                36            37            38            39            40 
      1  -0.125891D+02 -0.234822D+02  0.468722D+01 -0.948863D+00 -0.183673D+01
      2   0.272032D+01  0.762093D+01 -0.627063D+00  0.364149D+00  0.436558D+01
      3   0.986874D+01  0.158612D+02 -0.406016D+01  0.584714D+00 -0.252885D+01
      4  -0.176193D+01 -0.657682D+01  0.666051D+01  0.870384D+00 -0.836731D+01
      5   0.193896D+01 -0.797381D+01 -0.215060D+00  0.924949D+00  0.542608D+00
      6  -0.121221D+01  0.580686D+00 -0.193542D+01 -0.168375D+01  0.504271D+01
                41            42            43            44            45 
      1  -0.233560D+01  0.903480D+00  0.437702D+01 -0.212876D+01 -0.829046D+01
      2   0.104482D+02  0.134158D+01 -0.752479D+00  0.215692D+01 -0.316042D+01
      3  -0.811261D+01 -0.224506D+01 -0.362454D+01 -0.281523D-01  0.114509D+02
      4   0.650127D+01  0.318606D+01 -0.133756D+01  0.430115D+01 -0.150631D+01
      5   0.215762D+01  0.290835D+00  0.370070D+01  0.108728D+01  0.569061D+00
      6   0.109472D+01 -0.246989D+00 -0.144564D+01  0.432504D+01  0.101686D+01
                46            47            48            49            50 
      1   0.693047D+01  0.991247D+01 -0.114608D+01  0.298299D+01  0.767612D+01
      2  -0.414970D+01 -0.957714D+01  0.162844D+01  0.559207D+01 -0.149983D+02
      3  -0.278077D+01 -0.335334D+00 -0.482360D+00 -0.857506D+01  0.732222D+01
      4   0.993064D+01 -0.190301D+02 -0.197360D+01  0.151351D+02  0.128454D+02
      5   0.270903D+00 -0.206683D+01 -0.577172D+01  0.173205D+01  0.700048D+00
      6  -0.378246D+01  0.285500D+01 -0.785068D+01  0.429251D+00 -0.488096D+01
                51            52            53            54            55 
      1   0.230904D+01 -0.735846D+00  0.218720D+00 -0.166824D+02  0.183062D+02
      2  -0.359250D+01  0.191370D+01 -0.360166D+01  0.425560D+01 -0.478365D+01
      3   0.128346D+01 -0.117786D+01  0.338294D+01  0.124268D+02 -0.135225D+02
      4   0.273960D+00  0.249347D+01  0.418638D+01  0.682452D+01  0.111183D+02
      5   0.182046D+01  0.121837D+01  0.723945D+01  0.484155D+01  0.556346D+01
      6   0.690944D+01 -0.239482D+01  0.175705D+02  0.461574D+01 -0.318492D+00
                56            57            58            59            60 
      1   0.777736D+00 -0.653962D+00  0.464915D+01 -0.747258D+01  0.134551D+01
      2   0.209483D+01 -0.378563D+01 -0.423231D+00  0.509173D+00  0.870700D+00
      3  -0.287256D+01  0.443959D+01 -0.422592D+01  0.696340D+01 -0.221621D+01
      4  -0.979577D+01  0.114195D+00 -0.207561D+02 -0.614177D+01 -0.664995D+01
      5   0.116766D+01 -0.920068D+01  0.186601D+01 -0.677965D+01  0.355827D+01
      6  -0.335187D+01  0.315408D+01 -0.557750D+01  0.278735D+01 -0.229490D+01
                61            62            63            64            65 
      1  -0.113215D+02  0.211153D+01  0.437146D+01 -0.181992D+02 -0.178950D+02
      2  -0.112619D+02  0.339585D+01  0.111682D+02  0.375429D+01  0.960611D+01
      3   0.225833D+02 -0.550738D+01 -0.155397D+02  0.144449D+02  0.828887D+01
      4   0.231684D+00 -0.113916D+02  0.469091D+01 -0.223850D+02 -0.694031D+01
      5  -0.152741D+02  0.283508D+01  0.359167D+02  0.139990D+02  0.518466D+01
      6   0.557474D+01  0.246380D+00 -0.822268D+01  0.595632D+01  0.318205D+01
                66            67            68            69            70 
      1   0.848018D+01 -0.192745D+02  0.142762D+00  0.184143D+01  0.147195D+02
      2  -0.118905D+01  0.995504D+01  0.234306D+01  0.567808D+00  0.496530D+00
      3  -0.729114D+01  0.931943D+01 -0.248582D+01 -0.240923D+01 -0.152160D+02
      4   0.614757D+01 -0.379246D+01  0.112168D+02  0.635342D+01  0.130499D+02
      5  -0.791431D+01  0.631432D+01  0.517523D+01  0.109441D+01 -0.142765D+02
      6  -0.330147D+01  0.446018D+01  0.582364D+01  0.182241D+01 -0.673043D+01
                71            72            73            74            75 
      1   0.706136D+01 -0.900785D+01 -0.350617D+01  0.106176D+02 -0.363677D+01
      2  -0.216039D+01  0.163137D+02  0.702451D+01 -0.633330D+01  0.415344D+01
      3  -0.490098D+01 -0.730581D+01 -0.351834D+01 -0.428432D+01 -0.516665D+00
      4   0.841770D+01 -0.702166D+01  0.401928D+01  0.479550D+01  0.550441D-01
      5  -0.277205D+01 -0.276257D+02 -0.115475D+01  0.724148D+00 -0.969740D+00
      6   0.352322D+01 -0.982324D+01  0.139096D+01  0.602421D+01 -0.211018D+00
                76            77            78            79            80 
      1   0.241338D+02  0.301820D+02 -0.172235D+00 -0.978188D+01 -0.230686D+01
      2  -0.183640D+02 -0.320694D+02 -0.741332D+01  0.648157D+01 -0.834007D+01
      3  -0.576982D+01  0.188738D+01  0.758556D+01  0.330032D+01  0.106469D+02
      4   0.156525D+01 -0.606360D+01  0.152514D+00  0.284229D+00  0.260614D+01
      5   0.218396D+01  0.111574D+01 -0.609718D+01 -0.158145D+01 -0.945604D+01
      6   0.493931D+01 -0.530627D+01 -0.203664D+02 -0.108102D+02 -0.390349D+02
                81            82            83            84            85 
      1   0.273836D+02  0.257418D+02  0.151814D+02 -0.252258D+00  0.108218D+02
      2  -0.259438D+02 -0.500761D+01  0.132712D+01  0.675905D-01  0.704403D+01
      3  -0.143979D+01 -0.207342D+02 -0.165085D+02  0.184667D+00 -0.178658D+02
      4  -0.716391D+01  0.378274D+02  0.338064D+02 -0.111254D+01  0.377298D+02
      5   0.742506D+01 -0.439979D+00 -0.679528D+00  0.616066D+01  0.807544D+00
      6   0.162213D+02 -0.119988D+01 -0.125864D+01  0.346935D+01 -0.204121D+00
                86            87            88            89            90 
      1   0.428816D+01  0.192769D+00 -0.188817D+01 -0.144386D+01  0.112987D-01
      2   0.176501D+02 -0.365540D+00  0.103850D+01  0.106638D+01  0.933364D+00
      3  -0.219382D+02  0.172770D+00  0.849668D+00  0.377484D+00 -0.944663D+00
      4   0.464203D+02  0.421537D-01 -0.162015D+01 -0.590117D+00  0.177894D+01
      5   0.869668D+00  0.509331D+01  0.119769D+01  0.401460D+00 -0.426752D+00
      6  -0.577563D+00  0.572024D+01  0.757152D+00  0.140922D+01 -0.705362D-01
                91            92            93            94            95 
      1   0.999219D+02 -0.958598D+01 -0.869784D+01 -0.976788D+01  0.100203D+02
      2  -0.584925D+02  0.519286D+01  0.621613D+01  0.483605D+01 -0.490541D+01
      3  -0.414294D+02  0.439312D+01  0.248171D+01  0.493183D+01 -0.511487D+01
      4  -0.138976D+02  0.103773D+02  0.126250D+01  0.166473D+02 -0.484526D+01
      5  -0.129066D+02  0.128912D+01  0.118007D+02  0.243351D+01 -0.167297D+01
      6   0.164955D+00 -0.708771D+00 -0.725024D+00 -0.119694D+01  0.277598D+00
                96            97            98            99           100 
      1   0.137603D+01 -0.120664D+02  0.155565D+01  0.292296D+01  0.598203D+01
      2  -0.105452D+01  0.732998D+01 -0.806913D+00 -0.180918D+01  0.202048D+01
      3  -0.321511D+00  0.473640D+01 -0.748740D+00 -0.111378D+01 -0.800252D+01
      4  -0.171678D+01  0.281751D+01 -0.141633D+01 -0.861243D+00 -0.178036D+02
      5  -0.154220D+01  0.309473D+01 -0.124744D+00 -0.218419D+01 -0.202333D+01
      6   0.196530D+01 -0.253172D+00  0.910819D+00  0.423158D+00  0.175995D+01
               101           102           103           104           105 
      1  -0.425084D+01 -0.524532D+00 -0.423618D+00 -0.146463D+02 -0.163345D+01
      2  -0.425146D+01  0.441446D-01 -0.987224D+01  0.349974D+02  0.232322D+01
      3   0.850230D+01  0.480388D+00  0.102959D+02 -0.203512D+02 -0.689776D+00
      4   0.214841D+02  0.263978D+01  0.254060D+02 -0.469168D+02 -0.459411D+01
      5   0.228192D+01  0.375461D+01  0.231712D+01 -0.351836D+01 -0.501356D+01
      6  -0.209301D+01 -0.252060D+01 -0.253944D+01  0.632075D+01  0.778213D+01
               106           107           108           109           110 
      1  -0.740788D+00 -0.110470D+01 -0.169652D+01 -0.401039D+01  0.798669D+01
      2  -0.631940D+00  0.312717D+01  0.250383D+01  0.610831D+01 -0.994790D+01
      3   0.137273D+01 -0.202247D+01 -0.807308D+00 -0.209793D+01  0.196121D+01
      4   0.402951D+01 -0.577943D+01 -0.191395D+01 -0.363697D+01  0.751528D+01
      5   0.146203D+01 -0.125560D+01 -0.103172D+01  0.399139D+00 -0.300878D-01
      6  -0.144508D+01  0.341383D+01  0.145036D+01  0.113822D+01 -0.229256D+01
               111           112           113           114           115 
      1   0.160314D+01  0.626318D+01 -0.369404D+02 -0.417602D+01  0.100854D+01
      2  -0.107644D+01 -0.797508D+01  0.516498D+02  0.406361D+01 -0.122264D+01
      3  -0.526700D+00  0.171190D+01 -0.147095D+02  0.112404D+00  0.214098D+00
      4   0.276555D+00  0.661501D+01  0.303512D+01  0.567187D+00  0.420925D+00
      5   0.104973D+01  0.876151D-03  0.177604D+01  0.611905D+00  0.617042D+00
      6  -0.176642D+01 -0.115253D+01  0.768162D+01  0.806536D+01 -0.362376D+00
               116           117           118           119           120 
      1  -0.347288D+01 -0.176738D+01  0.524136D+01 -0.855336D+00 -0.385438D+01
      2   0.441624D+01  0.205423D+01 -0.819512D+01  0.193413D+00  0.568504D+01
      3  -0.943365D+00 -0.286855D+00  0.295376D+01  0.661923D+00 -0.183066D+01
      4  -0.368657D+00 -0.140172D+01 -0.400098D+01  0.705509D+01  0.152373D+01
      5  -0.511062D+00 -0.650641D+00 -0.107245D+02  0.100764D+01  0.150957D+02
      6   0.311412D+01  0.145803D+01  0.185314D+01 -0.723382D-01 -0.159998D+01
               121           122           123           124           125 
      1  -0.384449D+00 -0.179864D+01 -0.315999D+00 -0.189980D+01 -0.889734D+00
      2  -0.641274D+00 -0.455544D+00  0.343524D+00  0.131081D+02 -0.939825D+00
      3   0.102572D+01  0.225419D+01 -0.275251D-01 -0.112083D+02  0.182956D+01
      4   0.972267D+01 -0.293786D+01 -0.390226D+01  0.460280D+01 -0.642248D+01
      5   0.186339D+00 -0.381083D+01 -0.134213D+01  0.231248D+02 -0.357864D+01
      6  -0.152817D+01  0.923768D+00  0.782356D+01 -0.390709D+01  0.549562D+01
               126           127           128           129           130 
      1  -0.130466D+02 -0.588873D+02  0.931813D+01  0.413734D+01 -0.222337D+01
      2  -0.224002D+02  0.335589D+02 -0.127911D+02 -0.453621D+01 -0.437782D+01
      3   0.354468D+02  0.253283D+02  0.347301D+01  0.398868D+00  0.660118D+01
      4  -0.354008D+01  0.138643D+02  0.138118D+02 -0.299616D+01  0.201034D+02
      5  -0.380199D+02  0.480459D+01 -0.114483D+01  0.838780D+01 -0.323653D+01
      6   0.851222D+01 -0.667750D+01  0.237883D+01 -0.541340D+01  0.405358D+01
               131           132           133           134           135 
      1   0.229455D+02  0.551249D+01  0.908515D+01  0.301627D+01  0.157289D+02
      2  -0.262297D+02 -0.112364D+02 -0.108027D+01 -0.122616D+02  0.321171D+00
      3   0.328416D+01  0.572388D+01 -0.800488D+01  0.924538D+01 -0.160501D+02
      4   0.482197D+01  0.118182D+02 -0.857554D+01  0.134668D+02 -0.210228D+01
      5   0.143431D+02  0.106478D+01  0.657209D+01  0.237969D+01 -0.271109D+02
      6  -0.129720D+02 -0.621374D-01 -0.389762D+01 -0.178115D+01  0.179082D+02
               136           137           138           139           140 
      1   0.494398D+02  0.136945D+02 -0.893572D+01  0.110669D+02  0.534737D+01
      2  -0.223510D+02 -0.286305D+01  0.403434D+01 -0.136645D+01  0.304607D+01
      3  -0.270889D+02 -0.108315D+02  0.490137D+01 -0.970048D+01 -0.839345D+01
      4   0.343808D+02  0.206432D+02 -0.648032D+01  0.197502D+02  0.138630D+02
      5  -0.134320D+02 -0.433235D+01  0.111606D+02 -0.407220D+01 -0.483428D+01
      6  -0.553557D+01 -0.290489D+01  0.451427D+01 -0.297768D+01 -0.296254D+01
               141           142           143           144           145 
      1  -0.149778D+01 -0.160438D+02 -0.300220D+01  0.671146D+01  0.735261D+01
      2  -0.609609D+00  0.835133D+01 -0.217555D+00 -0.598673D+01 -0.622762D+01
      3   0.210739D+01  0.769243D+01  0.321975D+01 -0.724733D+00 -0.112499D+01
      4  -0.527398D+01 -0.125303D+02 -0.976576D+01  0.763539D+01  0.542569D+01
      5   0.349911D+01  0.147661D+02  0.558065D+01 -0.680699D+01  0.775336D+01
      6   0.330229D+01  0.669004D+01  0.383821D+01 -0.343670D+01  0.224943D+01
               146           147           148           149           150 
      1   0.369650D+01  0.438845D+01  0.199883D+00 -0.111529D+01 -0.162826D+01
      2  -0.212264D+01 -0.467677D+01  0.159918D+01 -0.958834D+00  0.241559D+01
      3  -0.157386D+01  0.288325D+00 -0.179907D+01  0.207413D+01 -0.787327D+00
      4   0.273947D+01  0.201459D+01  0.396444D+01 -0.101044D+01  0.344006D+01
      5   0.542188D+00  0.922644D+01 -0.159489D+01  0.330108D+01 -0.244953D+01
      6   0.107857D+01  0.165989D+01  0.118799D+01  0.891790D+00  0.477942D+01
               151           152           153           154           155 
      1   0.888581D+01 -0.226265D+01 -0.163439D+01  0.701814D+00  0.515018D+00
      2  -0.118314D+02  0.187446D+01 -0.187473D+02 -0.139389D+01 -0.269521D+00
      3   0.294563D+01  0.388191D+00  0.203817D+02  0.692072D+00 -0.245497D+00
      4   0.504385D+01  0.828706D+01  0.688215D+01  0.328606D+01  0.695070D+01
      5   0.188035D+02  0.363803D+01  0.344744D+02 -0.215512D+01 -0.356532D+01
      6   0.637970D+01  0.506806D+01  0.150415D+02 -0.575779D+01 -0.188730D+01
               156           157           158           159           160 
      1  -0.505646D+00 -0.505846D+01 -0.233932D+02  0.111481D+02  0.415581D+01
      2  -0.116880D+00  0.609890D+01  0.269398D+02 -0.100349D+02 -0.303969D+01
      3   0.622526D+00 -0.104044D+01 -0.354659D+01 -0.111315D+01 -0.111612D+01
      4  -0.508579D+01  0.549669D+01  0.839852D+01 -0.405558D+01 -0.966520D+01
      5   0.622517D+01 -0.236836D+01 -0.472743D+01  0.435391D+01  0.720551D+01
      6   0.195219D+01 -0.421929D+01 -0.176360D+02  0.176353D+02  0.949723D+01
               161           162           163           164           165 
      1   0.231563D+02 -0.255049D+02  0.301719D-02  0.434960D+01  0.220772D+01
      2  -0.189293D+02  0.121919D+02  0.200370D+01 -0.506549D+01 -0.178103D+01
      3  -0.422702D+01  0.133130D+02 -0.200672D+01  0.715890D+00 -0.426687D+00
      4  -0.940661D+01  0.720685D+01  0.107598D+01  0.762496D+01  0.348084D+01
      5   0.961865D+01 -0.111676D+02  0.893339D+00  0.173577D+01  0.259412D+01
      6   0.326132D+02 -0.340484D+02  0.430807D+01 -0.141487D+01 -0.840887D+00
               166           167           168           169           170 
      1  -0.310557D+01 -0.355593D+02 -0.103719D+02  0.530119D+00 -0.196045D+02
      2   0.478867D+01  0.515573D+02  0.151333D+02  0.124923D+01  0.262326D+02
      3  -0.168310D+01 -0.159980D+02 -0.476144D+01 -0.177935D+01 -0.662814D+01
      4   0.724899D+01  0.103410D+02  0.290653D+01  0.567435D+01  0.559265D+01
      5   0.166979D+01  0.336204D+01  0.325045D+01  0.357447D+01  0.505544D+01
      6   0.183113D+01  0.207724D+02  0.158421D+02  0.411005D+01  0.246263D+02
               171           172           173           174           175 
      1  -0.155143D+02  0.376478D+01 -0.265778D+01  0.538856D+01  0.969500D+00
      2   0.140621D+02 -0.367441D+01  0.302546D+01 -0.607774D+00 -0.105462D+01
      3   0.145218D+01 -0.903656D-01 -0.367679D+00 -0.478079D+01  0.851242D-01
      4   0.409233D+01 -0.351428D+00 -0.213605D+01 -0.147636D+01 -0.357646D+00
      5   0.220113D+01  0.146348D+01  0.198869D+00 -0.879379D+00  0.792410D+00
      6   0.143629D+02 -0.125028D+01 -0.178252D+01  0.344644D+01 -0.618977D-01
               176           177           178           179           180 
      1  -0.557244D+01  0.193771D+01  0.712701D+01  0.398066D+01 -0.175080D+02
      2   0.430003D+01 -0.226008D+01 -0.426685D+01 -0.317844D+01 -0.925380D+01
      3   0.127241D+01  0.322364D+00 -0.286016D+01 -0.802215D+00  0.267618D+02
      4  -0.135520D+01  0.201447D+01 -0.736078D+01  0.829777D+01 -0.325245D+01
      5   0.161628D+01 -0.248253D+00  0.832042D+01 -0.627828D+01  0.327066D+02
      6  -0.181635D+01  0.587414D+01 -0.221471D+01  0.952429D+01 -0.253212D+02
               181           182           183           184           185 
      1   0.857724D+02 -0.845924D+01 -0.329466D+01  0.589871D+01  0.343185D+01
      2  -0.441065D+02  0.587848D+00  0.130449D+01 -0.575386D+01  0.974765D+00
      3  -0.416659D+02  0.787139D+01  0.199017D+01 -0.144844D+00 -0.440661D+01
      4  -0.366008D+02  0.170390D+02  0.698378D+00  0.773513D+01 -0.322329D+01
      5   0.213909D+01 -0.545810D+00  0.112508D+02  0.516987D+00 -0.153203D+01
      6   0.179699D+01  0.936098D+00 -0.442365D+01  0.331155D+00  0.105426D+01
               186           187           188           189           190 
      1  -0.725911D+00 -0.767095D+01 -0.255903D+00  0.520304D+01  0.297221D+01
      2   0.118463D+01  0.417833D+01  0.192790D+01 -0.462648D+01  0.374256D+00
      3  -0.458720D+00  0.349262D+01 -0.167200D+01 -0.576565D+00 -0.334647D+01
      4  -0.161467D+01  0.402978D+01 -0.375962D+01 -0.278033D+01 -0.111945D+01
      5   0.997001D+00  0.107970D+02 -0.180014D+01 -0.476383D+00 -0.134583D+01
      6   0.782217D+00 -0.310902D+01  0.197829D+01 -0.679324D+00  0.195157D+01
               191           192           193           194           195 
      1  -0.792716D+01 -0.211560D+01 -0.603360D+01 -0.268782D+02 -0.569261D+01
      2   0.930619D+01  0.213973D+01  0.179377D+01  0.471935D+02  0.944321D+01
      3  -0.137903D+01 -0.241220D-01  0.423983D+01 -0.203153D+02 -0.375060D+01
      4  -0.775500D+00  0.119848D+01  0.988616D+01 -0.325455D+02 -0.586687D+01
      5  -0.408733D+00 -0.129085D+01 -0.679672D+00 -0.781216D+01 -0.719923D+01
      6   0.670933D+00  0.265967D+01 -0.171585D+00  0.705111D+01  0.922038D+01
               196           197           198 
      1  -0.441769D+01 -0.676889D+01 -0.711678D+01
      2   0.138398D+01  0.116352D+02  0.555803D+01
      3   0.303371D+01 -0.486627D+01  0.155876D+01
      4   0.533929D+01 -0.108871D+02 -0.422522D+01
      5   0.108512D+01 -0.581809D+01 -0.216203D+01
      6   0.571418D-01  0.889758D+01  0.462021D+01
 Leave Link  716 at Fri Jul 16 20:43:02 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149214D+03  0.192558D+01 -0.345609D+01
      2   0.192558D+01  0.130607D+03  0.143883D+01
      3  -0.345609D+01  0.143883D+01  0.824364D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.498885D+00  0.119264D+01  0.231551D+01
      2   0.107900D+02 -0.598713D+01  0.131795D+02
      3   0.492441D+00  0.329838D+02  0.544252D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.753944D+02 -0.162504D+02  0.144034D+02
      2   0.399131D+02  0.239668D+01 -0.145240D+02
      3   0.354813D+02  0.138537D+02  0.120586D+00
      4  -0.289991D+02 -0.316738D+02 -0.109174D+02
      5   0.159481D+02 -0.141467D+02  0.334628D+02
      6  -0.750068D+01 -0.932861D+00 -0.758754D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.364527D+00 -0.121432D+01 -0.737619D+00 -0.535446D+01 -0.828121D-01
      2  -0.121432D+01 -0.253778D+01 -0.668051D+00 -0.828121D-01 -0.232702D+01
      3  -0.737619D+00 -0.668051D+00 -0.144827D+01  0.587742D+00  0.483877D+00
                 6             7             8             9            10 
      1   0.587742D+00 -0.130195D+01 -0.859503D-01 -0.363174D+01 -0.513883D+01
      2   0.483877D+00 -0.859503D-01  0.490184D+00 -0.392451D+01  0.868439D+00
      3  -0.266008D+01 -0.363174D+01 -0.392451D+01 -0.504089D-01 -0.559193D+00
                11            12            13            14            15 
      1   0.868439D+00 -0.559193D+00  0.158358D+01  0.240492D+01  0.344415D+00
      2  -0.261486D+01 -0.221583D-01  0.240492D+01  0.239980D+01 -0.381723D+00
      3  -0.221583D-01 -0.267146D+01  0.344415D+00 -0.381723D+00  0.884820D+00
                16            17            18            19            20 
      1  -0.709950D+00  0.610226D+00 -0.545597D+01  0.101553D+01 -0.313391D+01
      2   0.610226D+00  0.266890D+00  0.744968D+00 -0.313391D+01 -0.363473D+01
      3  -0.545597D+01  0.744968D+00  0.138991D+01 -0.257722D+00  0.530853D+00
                21            22            23            24            25 
      1  -0.257722D+00  0.529593D+01 -0.451511D+00 -0.133992D+00  0.262556D+00
      2   0.530853D+00 -0.451511D+00  0.388324D+00 -0.466418D+00  0.927477D+00
      3  -0.366938D+00 -0.133992D+00 -0.466418D+00  0.226036D+01 -0.238714D+01
                26            27            28            29            30 
      1   0.927477D+00 -0.238714D+01  0.119964D+01  0.316045D+01 -0.316174D+00
      2  -0.488547D+00  0.355237D+01  0.316045D+01  0.729686D+01 -0.150310D+00
      3   0.355237D+01  0.138491D+01 -0.316174D+00 -0.150310D+00  0.168804D+01
                31            32            33            34            35 
      1   0.121176D+02  0.459017D+01 -0.944543D+00  0.163539D+01 -0.356586D+00
      2   0.459017D+01  0.688271D+01 -0.521255D+00 -0.356586D+00 -0.406517D+00
      3  -0.944543D+00 -0.521255D+00  0.140868D+01  0.156867D+01  0.301618D+01
                36            37            38            39            40 
      1   0.156867D+01  0.161875D+02 -0.178791D+01 -0.200912D+01 -0.587960D+01
      2   0.301618D+01 -0.178791D+01  0.374591D+01  0.817363D-01 -0.316218D+01
      3   0.497451D-01 -0.200912D+01  0.817363D-01  0.210732D+01 -0.103844D+00
                41            42            43            44            45 
      1  -0.316218D+01 -0.103844D+00 -0.161979D+01 -0.436575D+00  0.324999D+01
      2  -0.576726D+00  0.515287D+00 -0.436575D+00  0.428739D+00 -0.856244D+00
      3   0.515287D+00  0.259448D+00  0.324999D+01 -0.856244D+00 -0.129343D+01
                46            47            48            49            50 
      1  -0.173384D+01  0.340823D+01  0.346833D+00 -0.575773D+01  0.579543D+00
      2   0.340823D+01  0.226293D+01 -0.391580D+00  0.579543D+00 -0.186066D+01
      3   0.346833D+00 -0.391580D+00  0.991096D+00  0.209811D+00  0.425001D+00
                51            52            53            54            55 
      1   0.209811D+00  0.913692D-01 -0.494860D+00  0.407662D+00 -0.476828D+01
      2   0.425001D+00 -0.494860D+00  0.750001D-01 -0.404143D+01  0.238230D+01
      3  -0.206221D+01  0.407662D+00 -0.404143D+01 -0.115395D+01  0.129807D+01
                56            57            58            59            60 
      1   0.238230D+01  0.129807D+01  0.283740D+01 -0.303713D+01  0.230820D+00
      2  -0.209252D+01  0.198947D+00 -0.303713D+01 -0.206063D+01 -0.131230D+01
      3   0.198947D+00 -0.206260D+01  0.230820D+00 -0.131230D+01  0.690929D+00
                61            62            63            64            65 
      1   0.379928D+01  0.959337D-01 -0.318275D+01 -0.446689D+01 -0.355348D+01
      2   0.959337D-01 -0.183166D+01  0.272962D+00 -0.355348D+01  0.937697D+00
      3  -0.318275D+01  0.272962D+00  0.878780D+01  0.200802D+01  0.687804D+00
                66            67            68            69            70 
      1   0.200802D+01 -0.352922D+01  0.502222D+00  0.865392D+00  0.332359D+01
      2   0.687804D+00  0.502222D+00  0.239371D+01  0.120020D+01  0.160756D+01
      3  -0.156322D+01  0.865392D+00  0.120020D+01  0.377243D+00 -0.256460D+01
                71            72            73            74            75 
      1   0.160756D+01 -0.256460D+01 -0.226783D+01  0.397092D+00 -0.467446D-01
      2   0.138159D+01  0.930868D-01  0.397092D+00 -0.243633D+01  0.888076D+00
      3   0.930868D-01 -0.626121D+01 -0.467446D-01  0.888076D+00 -0.121751D+00
                76            77            78            79            80 
      1  -0.427968D+00 -0.406322D+01  0.924942D+00  0.724871D+00  0.185801D+01
      2  -0.406322D+01 -0.839967D+01 -0.415013D+00  0.185801D+01  0.163378D+00
      3   0.924942D+00 -0.415013D+00 -0.363656D+01 -0.142598D+01 -0.596221D+01
                81            82            83            84            85 
      1  -0.142598D+01 -0.572946D+01 -0.423327D+01  0.188942D+00 -0.417989D+01
      2  -0.596221D+01 -0.423327D+01 -0.375100D+01  0.180239D+00 -0.474868D+01
      3   0.344391D+01  0.188942D+00  0.180239D+00 -0.633228D+00 -0.506935D-01
                86            87            88            89            90 
      1  -0.474868D+01 -0.506935D-01  0.358384D+00  0.171109D+00  0.492279D-01
      2  -0.669845D+01  0.317514D-03  0.171109D+00 -0.183927D-01  0.449082D-01
      3   0.317514D-03 -0.749517D+00  0.492279D-01  0.449082D-01 -0.307571D-03
                91            92            93            94            95 
      1  -0.134049D+02  0.135008D+01  0.140035D+01  0.151503D+01 -0.177222D+01
      2   0.135008D+01 -0.958263D+00 -0.143546D+00 -0.177222D+01  0.545195D+00
      3   0.140035D+01 -0.143546D+00 -0.113031D+01 -0.290600D+00  0.201830D+00
                96            97            98            99           100 
      1  -0.290600D+00  0.171854D+01 -0.310507D+00 -0.988611D-01 -0.223965D+01
      2   0.201830D+00 -0.310507D+00  0.192827D+00  0.414755D-01  0.242987D+01
      3   0.199384D+00 -0.988611D-01  0.414755D-01  0.133062D+00  0.349087D+00
               101           102           103           104           105 
      1   0.242987D+01  0.349087D+00  0.250372D+01 -0.375974D+01 -0.388178D+00
      2  -0.273297D+01 -0.387415D+00 -0.375974D+01  0.924503D+01  0.949952D+00
      3  -0.387415D+00 -0.470240D+00 -0.388178D+00  0.949952D+00  0.103270D+01
               106           107           108           109           110 
      1   0.369367D+00 -0.533117D+00 -0.139566D+00  0.134361D+01 -0.163708D+01
      2  -0.533117D+00  0.113917D+01  0.226854D+00 -0.163708D+01  0.200142D+01
      3  -0.139566D+00  0.226854D+00  0.104341D+00 -0.131813D+00  0.311618D+00
               111           112           113           114           115 
      1  -0.131813D+00 -0.144956D+01  0.171714D+01  0.127717D+00 -0.220930D+00
      2   0.311618D+00  0.171714D+01 -0.942854D+01 -0.955366D+00  0.250199D+00
      3   0.206790D+00  0.127717D+00 -0.955366D+00 -0.984769D+00 -0.417963D-01
               116           117           118           119           120 
      1   0.250199D+00 -0.417963D-01  0.276061D+01 -0.616438D+00 -0.194009D+01
      2  -0.931845D+00 -0.135636D+00 -0.616438D+00  0.746441D+00  0.904169D-01
      3  -0.135636D+00 -0.178988D+00 -0.194009D+01  0.904169D-01  0.184950D+01
               121           122           123           124           125 
      1  -0.103997D+01  0.155850D+01  0.928976D-01 -0.572351D+01  0.568132D+00
      2   0.155850D+01 -0.399084D+00 -0.945597D+00  0.568132D+00 -0.137456D+01
      3   0.928976D-01 -0.945597D+00 -0.332447D+00  0.383306D+01 -0.681762D+00
               126           127           128           129           130 
      1   0.383306D+01 -0.766012D+01 -0.673056D+00  0.132331D+01 -0.363826D+01
      2  -0.681762D+00 -0.673056D+00  0.279587D+01 -0.269741D+00  0.291102D+01
      3  -0.925801D+01  0.132331D+01 -0.269741D+00  0.156858D+01 -0.358365D+00
               131           132           133           134           135 
      1   0.291102D+01 -0.358365D+00  0.185538D+01 -0.971610D+00  0.889119D+00
      2   0.305502D+01  0.257452D+01 -0.971610D+00  0.291001D+01  0.895023D+00
      3   0.257452D+01  0.207688D+00  0.889119D+00  0.895023D+00 -0.650001D+01
               136           137           138           139           140 
      1   0.919804D+01  0.324332D+01 -0.171559D+01  0.287293D+01  0.212244D+01
      2   0.324332D+01  0.208285D+01 -0.617568D+00  0.212244D+01  0.169702D+01
      3  -0.171559D+01 -0.617568D+00  0.141531D+01 -0.587017D+00 -0.735211D+00
               141           142           143           144           145 
      1  -0.587017D+00 -0.397579D+01 -0.136610D+01  0.207983D+01  0.157975D+01
      2  -0.735211D+00 -0.136610D+01 -0.136358D+01  0.824078D+00  0.543242D+00
      3   0.517570D+00  0.207983D+01  0.824078D+00 -0.739531D+00  0.126549D+01
               146           147           148           149           150 
      1   0.543242D+00  0.126549D+01  0.928800D-01  0.491764D+00 -0.210821D+00
      2   0.340069D-01  0.147635D+00  0.491764D+00 -0.165953D+00  0.659881D+00
      3   0.147635D+00  0.897787D+00 -0.210821D+00  0.659881D+00 -0.446189D+00
               151           152           153           154           155 
      1   0.240105D+01  0.591261D-01  0.297227D+01  0.108310D+01  0.809496D+00
      2   0.591261D-01  0.159442D+01  0.658751D+00  0.809496D+00  0.244549D+00
      3   0.297227D+01  0.658751D+00  0.728250D+01 -0.951643D+00 -0.339264D+00
               156           157           158           159           160 
      1  -0.951643D+00  0.100042D+01  0.176021D+01 -0.612544D+00 -0.297819D+01
      2  -0.339264D+00  0.176021D+01  0.554549D+01 -0.256498D+01 -0.209582D+01
      3   0.371980D+00 -0.612544D+00 -0.256498D+01  0.231563D+01  0.145620D+01
               161           162           163           164           165 
      1  -0.209582D+01  0.145620D+01 -0.286841D+00  0.638451D+00  0.673997D+00
      2  -0.541362D+01  0.488882D+01  0.638451D+00 -0.877270D+00 -0.204654D+00
      3   0.488882D+01 -0.621927D+01  0.673997D+00 -0.204654D+00 -0.166031D+00
               166           167           168           169           170 
      1   0.151644D+01  0.133851D+01  0.190004D+00  0.108158D+01  0.315757D+00
      2   0.133851D+01  0.885519D+01  0.257755D+01  0.315757D+00  0.477664D+01
      3   0.190004D+00  0.257755D+01  0.208702D+01  0.559088D+00  0.343118D+01
               171           172           173           174           175 
      1   0.559088D+00  0.122991D+00  0.916488D-01  0.530294D+00  0.684922D+00
      2   0.343118D+01  0.916488D-01 -0.747553D+00  0.255407D+00 -0.240428D+00
      3   0.198157D+01  0.530294D+00  0.255407D+00 -0.120480D+01  0.125708D+00
               176           177           178           179           180 
      1  -0.240428D+00  0.125708D+00  0.172766D+01 -0.619408D+00  0.756612D+00
      2  -0.547512D+00  0.558075D+00 -0.619408D+00  0.171450D+01 -0.141985D+01
      3   0.558075D+00  0.214470D-02  0.756612D+00 -0.141985D+01  0.752366D+01
               181           182           183           184           185 
      1   0.126575D+02 -0.198980D+01 -0.264918D+00  0.775449D+00  0.776363D+00
      2  -0.198980D+01  0.159261D+01 -0.907077D-01  0.776363D+00 -0.429820D+00
      3  -0.264918D+00 -0.907077D-01  0.120567D+01  0.835378D-01 -0.332801D+00
               186           187           188           189           190 
      1   0.835378D-01 -0.160301D+01  0.335772D+00  0.114213D+01  0.183835D+00
      2  -0.332801D+00  0.335772D+00 -0.746839D+00 -0.282328D+00 -0.483368D+00
      3   0.138941D+00  0.114213D+01 -0.282328D+00  0.125603D+00 -0.453758D+00
               191           192           193           194           195 
      1  -0.483368D+00 -0.453758D+00 -0.153968D+01  0.565112D+00 -0.102389D+00
      2  -0.135787D+01 -0.877364D-01  0.565112D+00 -0.811342D+01 -0.151582D+01
      3  -0.877364D-01 -0.463223D+00 -0.102389D+00 -0.151582D+01 -0.151077D+01
               196           197           198 
      1  -0.121590D+01  0.471232D+00 -0.354549D-01
      2   0.471232D+00 -0.255778D+01 -0.138669D+01
      3  -0.354549D-01 -0.138669D+01 -0.551890D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139744D+01 -0.166499D+00 -0.421455D+01  0.117952D+01  0.339699D-01
      2   0.755520D+00  0.104875D+01  0.289224D+01 -0.437283D+00 -0.617703D+00
      3  -0.699020D+01 -0.113890D+02 -0.222434D+00  0.824905D+01 -0.344700D+01
                 6             7             8             9            10 
      1  -0.155523D+01 -0.837514D+01  0.328607D+01  0.127144D+01  0.576750D+00
      2   0.688418D+01 -0.233270D+01  0.120417D+02  0.141822D+01  0.184199D+00
      3   0.126287D+00  0.130569D+01  0.204346D+01 -0.569297D+01  0.418051D+01
                11            12            13            14            15 
      1   0.531071D+00  0.737667D+00  0.120262D+01 -0.122893D+01  0.262030D+01
      2  -0.275149D+00  0.836771D+01 -0.218415D+01 -0.281869D+00 -0.147132D+01
      3  -0.877982D+01 -0.121803D+00  0.117514D+02  0.445218D+01 -0.166635D+01
                16            17            18            19            20 
      1   0.234062D+01  0.121752D+02  0.103365D+01  0.108744D+01 -0.799026D+00
      2   0.892010D+01 -0.342760D+01 -0.307215D+01  0.669279D+00 -0.493726D-01
      3   0.105675D+01 -0.342119D+00  0.244596D+01 -0.281213D+01 -0.158103D+02
                21            22            23            24            25 
      1  -0.391429D+00 -0.112985D+01  0.446515D+00 -0.265436D+01  0.404768D+01
      2  -0.935528D+00  0.113789D+01  0.163637D+01 -0.625618D+01 -0.921864D+01
      3  -0.736544D+00 -0.531554D+00  0.761162D+00 -0.349882D+00  0.630335D+00
                26            27            28            29            30 
      1   0.241921D+01 -0.126703D+00 -0.180898D+01  0.178933D+01 -0.954373D+00
      2  -0.103297D+02 -0.935071D+00 -0.343674D+01 -0.147076D+01 -0.103657D+01
      3   0.110468D+01  0.565534D+01 -0.378769D+01  0.635365D+01  0.172085D+01
                31            32            33            34            35 
      1   0.187348D+01  0.571933D+00 -0.966862D+00 -0.258088D+01  0.650174D+01
      2   0.201312D+01 -0.203675D+01 -0.145960D+01 -0.152974D+02 -0.121506D+01
      3   0.100992D+02  0.233173D+02 -0.128693D+01  0.320074D+01 -0.173226D+01
                36            37            38            39            40 
      1   0.370372D+00  0.610828D+00  0.188063D+01  0.141423D+01  0.241228D+01
      2   0.149660D+01 -0.146890D+01 -0.129123D+01 -0.743591D+00 -0.113315D+01
      3   0.346983D+01 -0.940772D+01  0.123899D+02  0.156962D+01  0.108669D+02
                41            42            43            44            45 
      1  -0.110946D+00 -0.554496D+00  0.368828D+01  0.104571D+02 -0.319603D+00
      2   0.265415D+00  0.666523D+00 -0.131139D+02  0.404094D+00  0.149592D+01
      3  -0.703570D+01 -0.152733D+01 -0.470477D+00 -0.594434D+01 -0.252733D+01
                46            47            48            49            50 
      1   0.651814D+00 -0.642162D+00  0.394750D+01 -0.476768D+00 -0.995977D+00
      2  -0.291484D+01  0.207980D+01 -0.232951D+01 -0.329102D-01  0.794775D+00
      3   0.103459D+02 -0.381683D+01 -0.248453D+01  0.691377D+01 -0.715140D+01
                51            52            53            54            55 
      1  -0.315849D+01  0.444964D+01  0.777121D+00 -0.161368D+01 -0.123551D+01
      2   0.196389D+01 -0.145012D+02  0.185283D+01  0.192647D+01 -0.231082D+00
      3   0.454826D-01 -0.441174D+01  0.116604D+01 -0.539030D+01 -0.157823D+01
                56            57            58            59            60 
      1   0.185251D+01 -0.127116D+01  0.265750D+01 -0.107536D+01 -0.133260D+01
      2   0.951503D+00 -0.666302D+00  0.129640D+01 -0.504541D+01  0.884830D+00
      3  -0.395815D+01 -0.116687D+01  0.109180D+02  0.718761D+01  0.383084D+01
                61            62            63            64            65 
      1  -0.306173D+01  0.592882D+01  0.316779D+01 -0.321372D+01 -0.126094D+01
      2  -0.947933D+01  0.497111D+00  0.131284D+02  0.707521D+01  0.344042D+01
      3  -0.384538D+01  0.686482D+01  0.201442D+01  0.773736D+01 -0.116794D+02
                66            67            68            69            70 
      1   0.178851D+01 -0.172065D+01 -0.337500D+01 -0.224787D+01  0.399719D+01
      2  -0.212704D+01  0.412897D+01  0.300850D+01  0.345606D+00 -0.119748D+02
      3   0.143506D+01 -0.730708D+01 -0.477767D+01 -0.285127D+01  0.853604D+00
                71            72            73            74            75 
      1   0.176867D+01  0.571348D+01  0.542062D+00 -0.263688D+01 -0.273935D+00
      2  -0.145621D+01 -0.126853D+02 -0.108195D+01  0.101291D+01  0.183003D+01
      3  -0.398552D+01 -0.314615D+01 -0.673838D+01 -0.248046D+00 -0.121364D+01
                76            77            78            79            80 
      1  -0.579244D+00  0.501963D+01  0.686406D+01  0.551874D+01  0.216281D+02
      2   0.131269D+00  0.528059D+00 -0.208432D+01 -0.519054D+01 -0.528055D+01
      3   0.120493D+02 -0.686494D+01  0.352241D+01 -0.564560D+00  0.784829D+01
                81            82            83            84            85 
      1  -0.635726D+01  0.317717D+00  0.386237D+00 -0.257850D+01 -0.156195D+00
      2   0.256319D+01 -0.687812D+00 -0.729616D+00  0.331483D+01  0.109224D-01
      3   0.145192D+01 -0.130621D+01 -0.510276D+01  0.306950D+00 -0.330480D+01
                86            87            88            89            90 
      1  -0.413354D-01 -0.344707D+01  0.121969D+01  0.170372D+01  0.458842D-01
      2  -0.197568D+00  0.339641D+01 -0.136188D+01 -0.117874D+01 -0.815809D-01
      3  -0.108418D+02  0.136535D+00 -0.367075D+00 -0.724602D+00  0.286745D+00
                91            92            93            94            95 
      1   0.532732D-01 -0.463636D+00  0.670944D+00 -0.192104D+00  0.132549D+00
      2  -0.200539D+01  0.218272D+00  0.676790D+01  0.710172D+00 -0.442259D+00
      3   0.234914D+01 -0.576811D+01 -0.292342D+00 -0.405137D+01  0.185782D+01
                96            97            98            99           100 
      1  -0.465184D+00 -0.510827D+00  0.434710D+00 -0.717749D-01 -0.664602D-01
      2  -0.104878D+01 -0.275893D+01  0.467456D+00 -0.554952D+00 -0.413151D+00
      3   0.565051D+00 -0.474471D+00  0.695453D+00 -0.144667D+00  0.100487D+01
               101           102           103           104           105 
      1   0.158728D+00  0.165945D+01  0.533070D-01  0.447071D+00 -0.457135D+01
      2   0.621746D+00  0.150827D+01  0.327007D+00 -0.174797D+01 -0.299624D+01
      3  -0.307945D+01 -0.396714D+00 -0.672357D+00  0.150024D+02  0.151482D+01
               106           107           108           109           110 
      1  -0.415045D+00  0.176081D+01 -0.416717D+00  0.266514D+00 -0.173695D-01
      2  -0.981847D+00  0.500366D+00 -0.254091D+00  0.620109D+00 -0.646618D+00
      3  -0.220719D+00  0.134677D+01 -0.164996D+00 -0.686568D+01  0.525912D+01
               111           112           113           114           115 
      1   0.132774D+01 -0.333783D+00  0.659370D+00 -0.456388D+01 -0.508761D+00
      2   0.187855D+00 -0.916981D+00  0.965057D+00 -0.206271D+00 -0.118171D+01
      3   0.440743D+00  0.868082D+01 -0.121425D+02 -0.115580D+01  0.963708D+00
               116           117           118           119           120 
      1   0.203097D+01 -0.274475D+00 -0.647731D+00 -0.148990D+01  0.856911D+00
      2   0.329463D+00 -0.151520D+00 -0.117311D+01 -0.742947D-01  0.360388D+01
      3  -0.183111D+01  0.450281D-01 -0.849201D+00 -0.361171D+01  0.115672D+01
               121           122           123           124           125 
      1  -0.136640D+01 -0.611180D+00 -0.111283D+01  0.838884D+00  0.285850D+01
      2   0.279256D+00  0.211730D-01 -0.960174D+00  0.139733D+01 -0.472064D+00
      3  -0.232304D+01 -0.885726D+00  0.196146D+01  0.184668D+01  0.265914D+01
               126           127           128           129           130 
      1  -0.345087D+01  0.259286D+01  0.971163D-01  0.298560D+01 -0.202533D+01
      2  -0.143676D+02  0.798631D+01 -0.187735D+01  0.574099D+01 -0.235737D+01
      3  -0.291631D+00  0.199446D+02 -0.116466D+02 -0.178331D+01 -0.167730D+01
               131           132           133           134           135 
      1   0.906180D+01  0.758355D-01 -0.755422D-01  0.461504D+01 -0.104861D+02
      2   0.652653D+01  0.727610D+00 -0.731134D+00  0.320053D+01 -0.165565D+02
      3  -0.174971D+02 -0.757154D+01 -0.117325D+01 -0.713734D+01 -0.465647D+01
               136           137           138           139           140 
      1   0.227551D+01  0.542130D+00 -0.261125D+01  0.699340D+00  0.724841D+00
      2  -0.470297D+01 -0.183976D+01  0.615972D+01 -0.172511D+01 -0.183843D+01
      3   0.472690D+01 -0.440181D+01 -0.920900D+00  0.813389D+00 -0.219409D+01
               141           142           143           144           145 
      1  -0.155994D+01 -0.258040D+01  0.239684D+00  0.116943D+01 -0.101261D+01
      2   0.199847D+01  0.380927D+01  0.179062D+01 -0.259996D+01  0.165933D+01
      3   0.120395D+01 -0.225613D+01  0.319421D+01  0.770986D+00 -0.264213D+00
               146           147           148           149           150 
      1   0.202189D+00 -0.133439D+01  0.270486D+00 -0.141560D+01 -0.395236D+00
      2  -0.323991D+00  0.313333D+01 -0.838705D+00  0.107190D+01 -0.851422D+00
      3  -0.365881D+00  0.131889D+01  0.183281D+01  0.242760D+01 -0.153917D+01
               151           152           153           154           155 
      1  -0.360392D+01  0.282555D+01 -0.841915D+01  0.194175D+01  0.249395D+00
      2   0.286215D+01  0.156452D+01  0.162240D+02  0.454774D+00 -0.267942D+00
      3   0.388658D+01 -0.584185D+01  0.198816D+01  0.396254D+01  0.132864D+00
               156           157           158           159           160 
      1  -0.809658D+00  0.132624D+01  0.350167D+01 -0.670132D+01 -0.325488D+01
      2   0.127813D+01  0.461126D-01 -0.182778D+01  0.193777D+01 -0.727362D+00
      3  -0.208032D+01  0.179930D+01 -0.613927D+00  0.656932D+00 -0.660365D+01
               161           162           163           164           165 
      1  -0.837873D+01  0.139727D+02 -0.106190D+01  0.656050D+00  0.508828D+00
      2   0.365163D+01 -0.489003D+01  0.201696D+00 -0.299049D+00  0.722664D+00
      3  -0.162272D+00 -0.864418D+00 -0.109712D+01 -0.554671D+00  0.158423D+01
               166           167           168           169           170 
      1  -0.154702D+01 -0.749958D+01 -0.764418D+01 -0.157985D+01 -0.755105D+01
      2  -0.391260D+00  0.205938D+01  0.157333D+01 -0.760978D+00  0.223922D+01
      3   0.500541D+01 -0.456740D+01 -0.215130D+01  0.451857D+01 -0.398749D+01
               171           172           173           174           175 
      1  -0.641040D+01  0.682026D+00 -0.613715D+00 -0.188263D+01 -0.137497D+00
      2   0.129550D+01  0.204468D+01  0.514212D+00 -0.236765D+01  0.178283D+00
      3  -0.205236D+01 -0.110779D+00  0.151225D+01 -0.144302D+01  0.121901D+01
               176           177           178           179           180 
      1   0.105286D+01 -0.128493D+01  0.519414D+00  0.149445D+01  0.134204D+02
      2   0.127996D+01 -0.315209D+00 -0.243906D+01 -0.312321D+01  0.191452D+02
      3   0.150086D+01 -0.130277D+01 -0.181037D+01 -0.396171D+01  0.354276D+01
               181           182           183           184           185 
      1  -0.162795D+00  0.213016D+00  0.224464D+01  0.194617D+00 -0.635665D+00
      2  -0.403119D+01 -0.468336D-01  0.654063D+01  0.215235D+00 -0.947418D+00
      3  -0.173724D+02 -0.510038D+01  0.973995D+00 -0.143204D+01 -0.159879D+00
               186           187           188           189           190 
      1  -0.474742D+00  0.128472D+01  0.376789D+00  0.237295D+00 -0.991403D+00
      2   0.576906D+00  0.179829D+01 -0.373761D+00  0.298194D+00 -0.123213D+01
      3   0.110428D+01  0.151629D+01  0.196084D+01 -0.809629D+00  0.396526D+01
               191           192           193           194           195 
      1  -0.468264D+00 -0.182015D+01 -0.476420D+00 -0.538202D+01 -0.608818D+01
      2   0.237300D-01 -0.623433D+00 -0.457717D+00 -0.317397D+01 -0.330600D+01
      3   0.436219D+01  0.163603D+01  0.570790D+01  0.226348D+02  0.500596D+01
               196           197           198 
      1  -0.394958D+00 -0.204941D+01 -0.173636D+01
      2  -0.134244D+01 -0.264516D+01 -0.111455D+01
      3   0.241888D+01  0.676691D+01  0.406978D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843114D+00 -0.229721D+02 -0.149299D+01  0.274791D+02  0.598072D+01
      2  -0.468568D+01  0.163048D+02 -0.588153D+00 -0.284520D+02 -0.115375D+02
      3   0.384256D+01  0.666727D+01  0.208114D+01  0.972943D+00  0.555682D+01
      4  -0.199492D+02  0.576005D+01  0.524744D+01  0.641220D+01 -0.140631D+02
      5   0.177969D+01  0.576595D+01  0.704788D+01 -0.382893D+00 -0.299282D+01
      6   0.510274D+01  0.225474D+01  0.938578D+01 -0.327224D+01  0.594746D+00
                 6             7             8             9            10 
      1   0.519368D+00  0.644242D+01  0.631034D+01  0.193044D+01 -0.984076D+01
      2   0.929966D+00 -0.468126D+01 -0.542575D+01 -0.829381D+01  0.485369D+01
      3  -0.144933D+01 -0.176116D+01 -0.884584D+00  0.636337D+01  0.498707D+01
      4  -0.395852D+01  0.459373D+01 -0.235878D+01  0.169754D+02  0.464906D+01
      5   0.149625D+02  0.241565D+02  0.187714D+02  0.249694D+01  0.995768D+01
      6   0.490959D+01  0.107644D+02  0.160795D+02 -0.205093D+01 -0.794734D+00
                11            12            13            14            15 
      1   0.279943D+01  0.691112D+01 -0.124201D+02 -0.239157D+02 -0.233783D+01
      2  -0.701082D+00 -0.375499D+01  0.109917D+02  0.248835D+02  0.369605D+01
      3  -0.209835D+01 -0.315613D+01  0.142840D+01 -0.967818D+00 -0.135822D+01
      4   0.233692D+02 -0.916775D+00 -0.268584D+02  0.780929D+01  0.321906D+01
      5  -0.149398D+01  0.181287D+02 -0.559821D+01  0.254460D+01 -0.346323D+01
      6  -0.107570D+01 -0.185944D+01  0.289541D+01 -0.894947D+00 -0.630508D+01
                16            17            18            19            20 
      1   0.105557D+02 -0.391662D+01  0.152534D+02  0.135193D+02  0.196868D+02
      2  -0.368757D+01  0.263868D+01 -0.209649D+02 -0.124136D+02 -0.136735D+02
      3  -0.686813D+01  0.127794D+01  0.571157D+01 -0.110572D+01 -0.601336D+01
      4  -0.635746D+01 -0.956237D+00 -0.232065D+01  0.109625D+02 -0.125538D+02
      5   0.374031D+02 -0.400411D+01 -0.644236D+01  0.121104D+01 -0.395881D+01
      6  -0.295276D+00  0.496504D+01 -0.152845D+01 -0.226974D+01  0.507809D+01
                21            22            23            24            25 
      1  -0.849152D+00 -0.217573D+02  0.130723D+02  0.129857D+01  0.714433D-02
      2   0.373082D+00  0.211522D+02 -0.216964D+02 -0.405295D+01  0.199549D+01
      3   0.476070D+00  0.605152D+00  0.862414D+01  0.275438D+01 -0.200263D+01
      4  -0.351156D+01  0.900449D+01  0.417447D+01  0.226488D+01 -0.413519D+01
      5  -0.322563D+01 -0.727951D+00  0.269912D+01 -0.122748D+02  0.119698D+02
      6  -0.338768D+00  0.162430D+01 -0.504421D+01  0.663291D+01 -0.750959D+01
                26            27            28            29            30 
      1  -0.191050D+01 -0.411543D+01 -0.961528D+01 -0.260523D+02 -0.816194D+00
      2  -0.285810D+01 -0.585351D+01  0.868628D+01  0.193009D+02 -0.159357D+01
      3   0.476860D+01  0.996894D+01  0.929001D+00  0.675142D+01  0.240976D+01
      4   0.617301D+01 -0.162347D+02 -0.829253D+01 -0.779376D+01 -0.537549D+00
      5  -0.158683D+02 -0.192127D+01 -0.153486D+01 -0.177686D-01 -0.111917D+01
      6   0.133128D+02  0.220194D+01 -0.666558D+00 -0.368062D+01  0.229341D+01
                31            32            33            34            35 
      1  -0.134632D+02 -0.105309D+02 -0.791711D+00  0.197660D+01  0.697995D+00
      2   0.263089D+01  0.105013D+02  0.225019D+00 -0.276666D+01 -0.710982D+00
      3   0.108323D+02  0.296268D-01  0.566693D+00  0.790056D+00  0.129869D-01
      4   0.692269D+01 -0.839874D+01 -0.206189D+01 -0.102881D+01  0.177404D+01
      5  -0.270284D+01 -0.198005D+01 -0.966829D+00  0.127670D+01 -0.321446D+01
      6  -0.734970D+01 -0.174410D+01  0.264513D+01  0.247011D+01  0.105113D+02
                36            37            38            39            40 
      1  -0.125891D+02 -0.234822D+02  0.468722D+01 -0.948863D+00 -0.183673D+01
      2   0.272032D+01  0.762093D+01 -0.627063D+00  0.364149D+00  0.436558D+01
      3   0.986874D+01  0.158612D+02 -0.406016D+01  0.584714D+00 -0.252885D+01
      4  -0.176193D+01 -0.657682D+01  0.666051D+01  0.870384D+00 -0.836731D+01
      5   0.193896D+01 -0.797381D+01 -0.215060D+00  0.924949D+00  0.542608D+00
      6  -0.121221D+01  0.580686D+00 -0.193542D+01 -0.168375D+01  0.504271D+01
                41            42            43            44            45 
      1  -0.233560D+01  0.903480D+00  0.437702D+01 -0.212876D+01 -0.829046D+01
      2   0.104482D+02  0.134158D+01 -0.752479D+00  0.215692D+01 -0.316042D+01
      3  -0.811261D+01 -0.224506D+01 -0.362454D+01 -0.281523D-01  0.114509D+02
      4   0.650127D+01  0.318606D+01 -0.133756D+01  0.430115D+01 -0.150631D+01
      5   0.215762D+01  0.290835D+00  0.370070D+01  0.108728D+01  0.569061D+00
      6   0.109472D+01 -0.246989D+00 -0.144564D+01  0.432504D+01  0.101686D+01
                46            47            48            49            50 
      1   0.693047D+01  0.991247D+01 -0.114608D+01  0.298299D+01  0.767612D+01
      2  -0.414970D+01 -0.957714D+01  0.162844D+01  0.559207D+01 -0.149983D+02
      3  -0.278077D+01 -0.335334D+00 -0.482360D+00 -0.857506D+01  0.732222D+01
      4   0.993064D+01 -0.190301D+02 -0.197360D+01  0.151351D+02  0.128454D+02
      5   0.270903D+00 -0.206683D+01 -0.577172D+01  0.173205D+01  0.700048D+00
      6  -0.378246D+01  0.285500D+01 -0.785068D+01  0.429251D+00 -0.488096D+01
                51            52            53            54            55 
      1   0.230904D+01 -0.735846D+00  0.218720D+00 -0.166824D+02  0.183062D+02
      2  -0.359250D+01  0.191370D+01 -0.360166D+01  0.425560D+01 -0.478365D+01
      3   0.128346D+01 -0.117786D+01  0.338294D+01  0.124268D+02 -0.135225D+02
      4   0.273960D+00  0.249347D+01  0.418638D+01  0.682452D+01  0.111183D+02
      5   0.182046D+01  0.121837D+01  0.723945D+01  0.484155D+01  0.556346D+01
      6   0.690944D+01 -0.239482D+01  0.175705D+02  0.461574D+01 -0.318492D+00
                56            57            58            59            60 
      1   0.777736D+00 -0.653962D+00  0.464915D+01 -0.747258D+01  0.134551D+01
      2   0.209483D+01 -0.378563D+01 -0.423231D+00  0.509173D+00  0.870700D+00
      3  -0.287256D+01  0.443959D+01 -0.422592D+01  0.696340D+01 -0.221621D+01
      4  -0.979577D+01  0.114195D+00 -0.207561D+02 -0.614177D+01 -0.664995D+01
      5   0.116766D+01 -0.920068D+01  0.186601D+01 -0.677965D+01  0.355827D+01
      6  -0.335187D+01  0.315408D+01 -0.557750D+01  0.278735D+01 -0.229490D+01
                61            62            63            64            65 
      1  -0.113215D+02  0.211153D+01  0.437146D+01 -0.181992D+02 -0.178950D+02
      2  -0.112619D+02  0.339585D+01  0.111682D+02  0.375429D+01  0.960611D+01
      3   0.225833D+02 -0.550738D+01 -0.155397D+02  0.144449D+02  0.828887D+01
      4   0.231684D+00 -0.113916D+02  0.469091D+01 -0.223850D+02 -0.694031D+01
      5  -0.152741D+02  0.283508D+01  0.359167D+02  0.139990D+02  0.518466D+01
      6   0.557474D+01  0.246380D+00 -0.822268D+01  0.595632D+01  0.318205D+01
                66            67            68            69            70 
      1   0.848018D+01 -0.192745D+02  0.142762D+00  0.184143D+01  0.147195D+02
      2  -0.118905D+01  0.995504D+01  0.234306D+01  0.567808D+00  0.496530D+00
      3  -0.729114D+01  0.931943D+01 -0.248582D+01 -0.240923D+01 -0.152160D+02
      4   0.614757D+01 -0.379246D+01  0.112168D+02  0.635342D+01  0.130499D+02
      5  -0.791431D+01  0.631432D+01  0.517523D+01  0.109441D+01 -0.142765D+02
      6  -0.330147D+01  0.446018D+01  0.582364D+01  0.182241D+01 -0.673043D+01
                71            72            73            74            75 
      1   0.706136D+01 -0.900785D+01 -0.350617D+01  0.106176D+02 -0.363677D+01
      2  -0.216039D+01  0.163137D+02  0.702451D+01 -0.633330D+01  0.415344D+01
      3  -0.490098D+01 -0.730581D+01 -0.351834D+01 -0.428432D+01 -0.516665D+00
      4   0.841770D+01 -0.702166D+01  0.401928D+01  0.479550D+01  0.550441D-01
      5  -0.277205D+01 -0.276257D+02 -0.115475D+01  0.724148D+00 -0.969740D+00
      6   0.352322D+01 -0.982324D+01  0.139096D+01  0.602421D+01 -0.211018D+00
                76            77            78            79            80 
      1   0.241338D+02  0.301820D+02 -0.172235D+00 -0.978188D+01 -0.230686D+01
      2  -0.183640D+02 -0.320694D+02 -0.741332D+01  0.648157D+01 -0.834007D+01
      3  -0.576982D+01  0.188738D+01  0.758556D+01  0.330032D+01  0.106469D+02
      4   0.156525D+01 -0.606360D+01  0.152514D+00  0.284229D+00  0.260614D+01
      5   0.218396D+01  0.111574D+01 -0.609718D+01 -0.158145D+01 -0.945604D+01
      6   0.493931D+01 -0.530627D+01 -0.203664D+02 -0.108102D+02 -0.390349D+02
                81            82            83            84            85 
      1   0.273836D+02  0.257418D+02  0.151814D+02 -0.252258D+00  0.108218D+02
      2  -0.259438D+02 -0.500761D+01  0.132712D+01  0.675905D-01  0.704403D+01
      3  -0.143979D+01 -0.207342D+02 -0.165085D+02  0.184667D+00 -0.178658D+02
      4  -0.716391D+01  0.378274D+02  0.338064D+02 -0.111254D+01  0.377298D+02
      5   0.742506D+01 -0.439979D+00 -0.679528D+00  0.616066D+01  0.807544D+00
      6   0.162213D+02 -0.119988D+01 -0.125864D+01  0.346935D+01 -0.204121D+00
                86            87            88            89            90 
      1   0.428816D+01  0.192769D+00 -0.188817D+01 -0.144386D+01  0.112987D-01
      2   0.176501D+02 -0.365540D+00  0.103850D+01  0.106638D+01  0.933364D+00
      3  -0.219382D+02  0.172770D+00  0.849668D+00  0.377484D+00 -0.944663D+00
      4   0.464203D+02  0.421537D-01 -0.162015D+01 -0.590117D+00  0.177894D+01
      5   0.869668D+00  0.509331D+01  0.119769D+01  0.401460D+00 -0.426752D+00
      6  -0.577563D+00  0.572024D+01  0.757152D+00  0.140922D+01 -0.705362D-01
                91            92            93            94            95 
      1   0.999219D+02 -0.958598D+01 -0.869784D+01 -0.976788D+01  0.100203D+02
      2  -0.584925D+02  0.519286D+01  0.621613D+01  0.483605D+01 -0.490541D+01
      3  -0.414294D+02  0.439312D+01  0.248171D+01  0.493183D+01 -0.511487D+01
      4  -0.138976D+02  0.103773D+02  0.126250D+01  0.166473D+02 -0.484526D+01
      5  -0.129066D+02  0.128912D+01  0.118007D+02  0.243351D+01 -0.167297D+01
      6   0.164955D+00 -0.708771D+00 -0.725024D+00 -0.119694D+01  0.277598D+00
                96            97            98            99           100 
      1   0.137603D+01 -0.120664D+02  0.155565D+01  0.292296D+01  0.598203D+01
      2  -0.105452D+01  0.732998D+01 -0.806913D+00 -0.180918D+01  0.202048D+01
      3  -0.321511D+00  0.473640D+01 -0.748740D+00 -0.111378D+01 -0.800252D+01
      4  -0.171678D+01  0.281751D+01 -0.141633D+01 -0.861243D+00 -0.178036D+02
      5  -0.154220D+01  0.309473D+01 -0.124744D+00 -0.218419D+01 -0.202333D+01
      6   0.196530D+01 -0.253172D+00  0.910819D+00  0.423158D+00  0.175995D+01
               101           102           103           104           105 
      1  -0.425084D+01 -0.524532D+00 -0.423618D+00 -0.146463D+02 -0.163345D+01
      2  -0.425146D+01  0.441446D-01 -0.987224D+01  0.349974D+02  0.232322D+01
      3   0.850230D+01  0.480388D+00  0.102959D+02 -0.203512D+02 -0.689776D+00
      4   0.214841D+02  0.263978D+01  0.254060D+02 -0.469168D+02 -0.459411D+01
      5   0.228192D+01  0.375461D+01  0.231712D+01 -0.351836D+01 -0.501356D+01
      6  -0.209301D+01 -0.252060D+01 -0.253944D+01  0.632075D+01  0.778213D+01
               106           107           108           109           110 
      1  -0.740788D+00 -0.110470D+01 -0.169652D+01 -0.401039D+01  0.798669D+01
      2  -0.631940D+00  0.312717D+01  0.250383D+01  0.610831D+01 -0.994790D+01
      3   0.137273D+01 -0.202247D+01 -0.807308D+00 -0.209793D+01  0.196121D+01
      4   0.402951D+01 -0.577943D+01 -0.191395D+01 -0.363697D+01  0.751528D+01
      5   0.146203D+01 -0.125560D+01 -0.103172D+01  0.399139D+00 -0.300878D-01
      6  -0.144508D+01  0.341383D+01  0.145036D+01  0.113822D+01 -0.229256D+01
               111           112           113           114           115 
      1   0.160314D+01  0.626318D+01 -0.369404D+02 -0.417602D+01  0.100854D+01
      2  -0.107644D+01 -0.797508D+01  0.516498D+02  0.406361D+01 -0.122264D+01
      3  -0.526700D+00  0.171190D+01 -0.147095D+02  0.112404D+00  0.214098D+00
      4   0.276555D+00  0.661501D+01  0.303512D+01  0.567187D+00  0.420925D+00
      5   0.104973D+01  0.876151D-03  0.177604D+01  0.611905D+00  0.617042D+00
      6  -0.176642D+01 -0.115253D+01  0.768162D+01  0.806536D+01 -0.362376D+00
               116           117           118           119           120 
      1  -0.347288D+01 -0.176738D+01  0.524136D+01 -0.855336D+00 -0.385438D+01
      2   0.441624D+01  0.205423D+01 -0.819512D+01  0.193413D+00  0.568504D+01
      3  -0.943365D+00 -0.286855D+00  0.295376D+01  0.661923D+00 -0.183066D+01
      4  -0.368657D+00 -0.140172D+01 -0.400098D+01  0.705509D+01  0.152373D+01
      5  -0.511062D+00 -0.650641D+00 -0.107245D+02  0.100764D+01  0.150957D+02
      6   0.311412D+01  0.145803D+01  0.185314D+01 -0.723382D-01 -0.159998D+01
               121           122           123           124           125 
      1  -0.384449D+00 -0.179864D+01 -0.315999D+00 -0.189980D+01 -0.889734D+00
      2  -0.641274D+00 -0.455544D+00  0.343524D+00  0.131081D+02 -0.939825D+00
      3   0.102572D+01  0.225419D+01 -0.275251D-01 -0.112083D+02  0.182956D+01
      4   0.972267D+01 -0.293786D+01 -0.390226D+01  0.460280D+01 -0.642248D+01
      5   0.186339D+00 -0.381083D+01 -0.134213D+01  0.231248D+02 -0.357864D+01
      6  -0.152817D+01  0.923768D+00  0.782356D+01 -0.390709D+01  0.549562D+01
               126           127           128           129           130 
      1  -0.130466D+02 -0.588873D+02  0.931813D+01  0.413734D+01 -0.222337D+01
      2  -0.224002D+02  0.335589D+02 -0.127911D+02 -0.453621D+01 -0.437782D+01
      3   0.354468D+02  0.253283D+02  0.347301D+01  0.398868D+00  0.660118D+01
      4  -0.354008D+01  0.138643D+02  0.138118D+02 -0.299616D+01  0.201034D+02
      5  -0.380199D+02  0.480459D+01 -0.114483D+01  0.838780D+01 -0.323653D+01
      6   0.851222D+01 -0.667750D+01  0.237883D+01 -0.541340D+01  0.405358D+01
               131           132           133           134           135 
      1   0.229455D+02  0.551249D+01  0.908515D+01  0.301627D+01  0.157289D+02
      2  -0.262297D+02 -0.112364D+02 -0.108027D+01 -0.122616D+02  0.321171D+00
      3   0.328416D+01  0.572388D+01 -0.800488D+01  0.924538D+01 -0.160501D+02
      4   0.482197D+01  0.118182D+02 -0.857554D+01  0.134668D+02 -0.210228D+01
      5   0.143431D+02  0.106478D+01  0.657209D+01  0.237969D+01 -0.271109D+02
      6  -0.129720D+02 -0.621374D-01 -0.389762D+01 -0.178115D+01  0.179082D+02
               136           137           138           139           140 
      1   0.494398D+02  0.136945D+02 -0.893572D+01  0.110669D+02  0.534737D+01
      2  -0.223510D+02 -0.286305D+01  0.403434D+01 -0.136645D+01  0.304607D+01
      3  -0.270889D+02 -0.108315D+02  0.490137D+01 -0.970048D+01 -0.839345D+01
      4   0.343808D+02  0.206432D+02 -0.648032D+01  0.197502D+02  0.138630D+02
      5  -0.134320D+02 -0.433235D+01  0.111606D+02 -0.407220D+01 -0.483428D+01
      6  -0.553557D+01 -0.290489D+01  0.451427D+01 -0.297768D+01 -0.296254D+01
               141           142           143           144           145 
      1  -0.149778D+01 -0.160438D+02 -0.300220D+01  0.671146D+01  0.735261D+01
      2  -0.609609D+00  0.835133D+01 -0.217555D+00 -0.598673D+01 -0.622762D+01
      3   0.210739D+01  0.769243D+01  0.321975D+01 -0.724733D+00 -0.112499D+01
      4  -0.527398D+01 -0.125303D+02 -0.976576D+01  0.763539D+01  0.542569D+01
      5   0.349911D+01  0.147661D+02  0.558065D+01 -0.680699D+01  0.775336D+01
      6   0.330229D+01  0.669004D+01  0.383821D+01 -0.343670D+01  0.224943D+01
               146           147           148           149           150 
      1   0.369650D+01  0.438845D+01  0.199883D+00 -0.111529D+01 -0.162826D+01
      2  -0.212264D+01 -0.467677D+01  0.159918D+01 -0.958834D+00  0.241559D+01
      3  -0.157386D+01  0.288325D+00 -0.179907D+01  0.207413D+01 -0.787327D+00
      4   0.273947D+01  0.201459D+01  0.396444D+01 -0.101044D+01  0.344006D+01
      5   0.542188D+00  0.922644D+01 -0.159489D+01  0.330108D+01 -0.244953D+01
      6   0.107857D+01  0.165989D+01  0.118799D+01  0.891790D+00  0.477942D+01
               151           152           153           154           155 
      1   0.888581D+01 -0.226265D+01 -0.163439D+01  0.701814D+00  0.515018D+00
      2  -0.118314D+02  0.187446D+01 -0.187473D+02 -0.139389D+01 -0.269521D+00
      3   0.294563D+01  0.388191D+00  0.203817D+02  0.692072D+00 -0.245497D+00
      4   0.504385D+01  0.828706D+01  0.688215D+01  0.328606D+01  0.695070D+01
      5   0.188035D+02  0.363803D+01  0.344744D+02 -0.215512D+01 -0.356532D+01
      6   0.637970D+01  0.506806D+01  0.150415D+02 -0.575779D+01 -0.188730D+01
               156           157           158           159           160 
      1  -0.505646D+00 -0.505846D+01 -0.233932D+02  0.111481D+02  0.415581D+01
      2  -0.116880D+00  0.609890D+01  0.269398D+02 -0.100349D+02 -0.303969D+01
      3   0.622526D+00 -0.104044D+01 -0.354659D+01 -0.111315D+01 -0.111612D+01
      4  -0.508579D+01  0.549669D+01  0.839852D+01 -0.405558D+01 -0.966520D+01
      5   0.622517D+01 -0.236836D+01 -0.472743D+01  0.435391D+01  0.720551D+01
      6   0.195219D+01 -0.421929D+01 -0.176360D+02  0.176353D+02  0.949723D+01
               161           162           163           164           165 
      1   0.231563D+02 -0.255049D+02  0.301719D-02  0.434960D+01  0.220772D+01
      2  -0.189293D+02  0.121919D+02  0.200370D+01 -0.506549D+01 -0.178103D+01
      3  -0.422702D+01  0.133130D+02 -0.200672D+01  0.715890D+00 -0.426687D+00
      4  -0.940661D+01  0.720685D+01  0.107598D+01  0.762496D+01  0.348084D+01
      5   0.961865D+01 -0.111676D+02  0.893339D+00  0.173577D+01  0.259412D+01
      6   0.326132D+02 -0.340484D+02  0.430807D+01 -0.141487D+01 -0.840887D+00
               166           167           168           169           170 
      1  -0.310557D+01 -0.355593D+02 -0.103719D+02  0.530119D+00 -0.196045D+02
      2   0.478867D+01  0.515573D+02  0.151333D+02  0.124923D+01  0.262326D+02
      3  -0.168310D+01 -0.159980D+02 -0.476144D+01 -0.177935D+01 -0.662814D+01
      4   0.724899D+01  0.103410D+02  0.290653D+01  0.567435D+01  0.559265D+01
      5   0.166979D+01  0.336204D+01  0.325045D+01  0.357447D+01  0.505544D+01
      6   0.183113D+01  0.207724D+02  0.158421D+02  0.411005D+01  0.246263D+02
               171           172           173           174           175 
      1  -0.155143D+02  0.376478D+01 -0.265778D+01  0.538856D+01  0.969500D+00
      2   0.140621D+02 -0.367441D+01  0.302546D+01 -0.607774D+00 -0.105462D+01
      3   0.145218D+01 -0.903656D-01 -0.367679D+00 -0.478079D+01  0.851242D-01
      4   0.409233D+01 -0.351428D+00 -0.213605D+01 -0.147636D+01 -0.357646D+00
      5   0.220113D+01  0.146348D+01  0.198869D+00 -0.879379D+00  0.792410D+00
      6   0.143629D+02 -0.125028D+01 -0.178252D+01  0.344644D+01 -0.618977D-01
               176           177           178           179           180 
      1  -0.557244D+01  0.193771D+01  0.712701D+01  0.398066D+01 -0.175080D+02
      2   0.430003D+01 -0.226008D+01 -0.426685D+01 -0.317844D+01 -0.925380D+01
      3   0.127241D+01  0.322364D+00 -0.286016D+01 -0.802215D+00  0.267618D+02
      4  -0.135520D+01  0.201447D+01 -0.736078D+01  0.829777D+01 -0.325245D+01
      5   0.161628D+01 -0.248253D+00  0.832042D+01 -0.627828D+01  0.327066D+02
      6  -0.181635D+01  0.587414D+01 -0.221471D+01  0.952429D+01 -0.253212D+02
               181           182           183           184           185 
      1   0.857724D+02 -0.845924D+01 -0.329466D+01  0.589871D+01  0.343185D+01
      2  -0.441065D+02  0.587848D+00  0.130449D+01 -0.575386D+01  0.974765D+00
      3  -0.416659D+02  0.787139D+01  0.199017D+01 -0.144844D+00 -0.440661D+01
      4  -0.366008D+02  0.170390D+02  0.698378D+00  0.773513D+01 -0.322329D+01
      5   0.213909D+01 -0.545810D+00  0.112508D+02  0.516987D+00 -0.153203D+01
      6   0.179699D+01  0.936098D+00 -0.442365D+01  0.331155D+00  0.105426D+01
               186           187           188           189           190 
      1  -0.725911D+00 -0.767095D+01 -0.255903D+00  0.520304D+01  0.297221D+01
      2   0.118463D+01  0.417833D+01  0.192790D+01 -0.462648D+01  0.374256D+00
      3  -0.458720D+00  0.349262D+01 -0.167200D+01 -0.576565D+00 -0.334647D+01
      4  -0.161467D+01  0.402978D+01 -0.375962D+01 -0.278033D+01 -0.111945D+01
      5   0.997001D+00  0.107970D+02 -0.180014D+01 -0.476383D+00 -0.134583D+01
      6   0.782217D+00 -0.310902D+01  0.197829D+01 -0.679324D+00  0.195157D+01
               191           192           193           194           195 
      1  -0.792716D+01 -0.211560D+01 -0.603360D+01 -0.268782D+02 -0.569261D+01
      2   0.930619D+01  0.213973D+01  0.179377D+01  0.471935D+02  0.944321D+01
      3  -0.137903D+01 -0.241220D-01  0.423983D+01 -0.203153D+02 -0.375060D+01
      4  -0.775500D+00  0.119848D+01  0.988616D+01 -0.325455D+02 -0.586687D+01
      5  -0.408733D+00 -0.129085D+01 -0.679672D+00 -0.781216D+01 -0.719923D+01
      6   0.670933D+00  0.265967D+01 -0.171585D+00  0.705111D+01  0.922038D+01
               196           197           198 
      1  -0.441769D+01 -0.676889D+01 -0.711678D+01
      2   0.138398D+01  0.116352D+02  0.555803D+01
      3   0.303371D+01 -0.486627D+01  0.155876D+01
      4   0.533929D+01 -0.108871D+02 -0.422522D+01
      5   0.108512D+01 -0.581809D+01 -0.216203D+01
      6   0.571418D-01  0.889758D+01  0.462021D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.228478D+00      0.580733D+00      0.193712D+01
   y          0.849445D-01      0.215907D+00      0.720189D+00
   z         -0.465018D-01     -0.118196D+00     -0.394258D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.137958D+03      0.204432D+02      0.227462D+02
   yx         0.163919D+01      0.242903D+00      0.270266D+00
   yy         0.121490D+03      0.180029D+02      0.200309D+02
   zx        -0.354524D+01     -0.525350D+00     -0.584531D+00
   zy         0.151232D+01      0.224103D+00      0.249348D+00
   zz         0.749665D+02      0.111089D+02      0.123603D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120752D+03      0.178937D+02      0.199094D+02
   aniso      0.601339D+02      0.891092D+01      0.991473D+01
   xx         0.149214D+03      0.221112D+02      0.246020D+02
   yx         0.192558D+01      0.285342D+00      0.317486D+00
   yy         0.130607D+03      0.193540D+02      0.215342D+02
   zx        -0.345609D+01     -0.512140D+00     -0.569833D+00
   zy         0.143883D+01      0.213213D+00      0.237231D+00
   zz         0.824364D+02      0.122158D+02      0.135919D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.56469655          1.00365449         -4.55743152
     6         -1.20986827         -1.54511696         -4.60129481
     6         -1.30345256         -2.93267351         -2.36616220
     6         -0.73934845         -1.74384953         -0.09972884
     6         -0.09110474          0.81339270         -0.05371423
     6         -0.00390573          2.19672292         -2.27856556
     6          0.40639081          1.68329970          2.62667135
     6          0.80348043         -0.84403721          4.03702730
     6         -0.73210609         -2.81674549          2.54175414
     1         -0.48852925          2.06263104         -6.30614058
     1         -1.63120726         -2.45621651         -6.38386003
     1         -1.79798374         -4.91928057         -2.40719885
     1          0.50546046          4.17909947         -2.25955092
     1         -1.32533153          2.57546650          3.34296304
     6          2.57573924          3.55181208          2.93253577
     1          0.27173336         -0.73516801          6.02457714
     1          2.80931069         -1.33543593          3.95290119
     1         -2.66869843         -2.94366091          3.26328352
     1          0.07298243         -4.71211499          2.64459003
     1          4.32875066          2.75645476          2.18752716
     1          2.87317206          4.01252755          4.92196496
     1          2.20357921          5.31694588          1.93240411

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.248154D+00      0.630743D+00      0.210393D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.248154D+00      0.630743D+00      0.210393D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111471D+03      0.165183D+02      0.183791D+02
   aniso      0.570471D+02      0.845351D+01      0.940580D+01
   xx         0.805435D+02      0.119353D+02      0.132798D+02
   yx         0.137380D+02      0.203576D+01      0.226508D+01
   yy         0.117992D+03      0.174846D+02      0.194542D+02
   zx         0.986082D+01      0.146122D+01      0.162583D+01
   zy         0.120081D+01      0.177942D+00      0.197987D+00
   zz         0.135879D+03      0.201351D+02      0.224034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120752D+03      0.178937D+02      0.199094D+02
   aniso      0.601339D+02      0.891092D+01      0.991473D+01
   xx         0.884787D+02      0.131112D+02      0.145882D+02
   yx         0.143930D+02      0.213282D+01      0.237308D+01
   yy         0.126868D+03      0.187999D+02      0.209178D+02
   zx         0.107103D+02      0.158711D+01      0.176590D+01
   zy         0.136971D+01      0.202970D+00      0.225835D+00
   zz         0.146910D+03      0.217699D+02      0.242222D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K13-23-01\Freq\RLC-PBEPBE\Gen\C10H12\PIERPA\16-Jul-2021\0
 \\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Ti
 ght) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0250
 000000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/1
 31=-1)\\ROA calculations.\\0,1\C,-2.164986,-1.22492,-0.005005\C,-2.642
 02,0.073409,0.14669\C,-1.762079,1.153232,0.130794\C,-0.405452,0.917524
 ,-0.034454\C,0.074285,-0.384887,-0.1864\C,-0.802207,-1.459935,-0.17386
 9\C,1.57772,-0.384146,-0.367381\C,1.970002,1.020984,0.144037\C,0.73193
 1,1.906712,-0.098518\H,-2.85672,-2.057467,0.013689\H,-3.702276,0.24425
 ,0.283207\H,-2.135971,2.162786,0.253773\H,-0.437393,-2.473544,-0.28667
 \H,1.78987,-0.436688,-1.443748\C,2.317593,-1.524644,0.320775\H,2.87317
 ,1.403772,-0.331853\H,2.163642,0.958387,1.218672\H,0.772481,2.369953,-
 1.090624\H,0.637692,2.716269,0.626868\H,2.108272,-1.526468,1.392826\H,
 3.39662,-1.425796,0.184958\H,2.021897,-2.495429,-0.08111\\Version=ES64
 L-G16RevA.03\State=1-A\HF=-388.4843583\RMSD=4.061e-09\RMSF=3.841e-06\Z
 eroPoint=0.1920584\Thermal=0.2003641\Dipole=0.228478,0.0849445,-0.0465
 018\DipoleDeriv=-0.0445121,0.0259601,-0.0107133,0.0950944,0.0385571,0.
 0000125,-0.0031683,0.0095673,-0.1496511,0.0317622,-0.005505,-0.0306018
 ,-0.0777093,-0.0579125,0.02015,-0.0232514,0.0103602,-0.1459145,-0.0148
 712,-0.1006101,-0.0178892,-0.0724145,0.0820454,0.0262812,-0.0127363,0.
 0387885,-0.1167244,-0.0406253,0.1386755,-0.0087303,0.2694627,0.083241,
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 "THE TIME HAS COME", THE WALRUS SAID,
 "TO TALK OF MANY THINGS,
 OF SHOES AND SHIPS AND SEALING WAX,
 OF CABBAGES AND KINGS,
 AND WHY THE SEA IS BOILING HOT,
 AND WHETHER PIGS HAVE WINGS."
 Job cpu time:       0 days 11 hours 46 minutes 26.3 seconds.
 Elapsed time:       0 days  1 hours 28 minutes 55.6 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 20:43:03 2021.
